data_1j8i_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 1j8i _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 ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.37 -75.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -109.84 -163.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -111.72 97.92 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.6 m 74.58 -137.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.84 -7.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -141.4 89.03 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -70.27 87.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -80.94 142.88 52.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.51 23.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.554 1.818 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.422 ' CG2' HG11 ' A' ' 59' ' ' VAL . 51.5 t -51.93 -31.45 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -62.26 -26.69 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -3.64 47.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -107.01 148.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.46 -77.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 3.0 t -120.02 170.77 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -140.29 155.59 46.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.75 122.93 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mt -113.42 129.58 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 p -101.67 165.0 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.52 -20.14 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.66 -171.72 5.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.27 -27.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -63.53 -58.81 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 1.5 ttp85 37.39 51.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.27 44.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 39' ' ' PHE . 2.1 m -96.67 119.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mm -99.89 124.43 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CE2' HG21 ' A' ' 37' ' ' VAL . 19.7 m-85 -111.75 117.92 34.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 mt -100.79 133.08 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.1 p -99.38 165.61 11.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.43 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -10.51 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 -17.43 32.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.24 -3.25 54.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.12 117.29 20.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -107.32 135.42 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -131.87 156.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 13' ' ' SER . 7.4 p -108.23 155.01 20.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.27 155.1 37.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -80.44 130.39 65.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.08 -9.27 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 56' ' ' VAL . . . -90.24 130.54 36.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.3 m -69.28 -38.13 78.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 1.8 p-90 -60.05 -36.34 77.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 76.9 t -68.01 -48.1 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.64 -44.31 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 21' ' ' VAL . 1.7 t -67.22 -37.33 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.65 -40.26 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -45.62 85.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.9 t -70.89 -46.87 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.7 mmm -42.07 -41.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -58.28 -43.71 88.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 16.2 ttt180 -71.23 -33.51 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -67.75 -36.13 79.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.3 p -162.9 171.41 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -152.21 162.35 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -139.76 171.32 14.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.0 p -148.83 178.05 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.99 109.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.1 p -159.58 118.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -117.73 149.23 41.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.09 155.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.36 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 2.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -110.51 -91.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -163.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -108.61 105.14 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 16' ' ' THR . 7.7 m 72.21 -132.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.51 -0.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LEU . 5.1 pt20 -146.31 90.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -65.53 73.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -67.56 144.69 97.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 133.0 16.2 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.61 -36.29 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -58.92 -25.69 63.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 -18.04 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.462 HG23 ' CE ' ' A' ' 63' ' ' MET . 8.0 mt -93.02 151.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -72.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 40' ' ' ILE . 7.1 t -120.66 167.2 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 p90 -138.78 161.17 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.08 122.49 12.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 2.0 mp -104.81 137.04 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -102.4 160.56 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.476 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -19.89 8.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.72 -172.33 7.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -25.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -65.74 -57.1 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 37.56 62.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.4 156.54 48.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.507 HG23 ' CE2' ' A' ' 39' ' ' PHE . 3.5 m -96.16 116.64 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mm -94.7 130.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CE2' HG23 ' A' ' 37' ' ' VAL . 42.2 m-85 -111.7 117.3 32.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 26' ' ' THR . 7.6 mt -103.24 123.95 57.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 2.2 p -93.84 165.33 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -27.77 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -21.24 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.79 -0.59 52.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -79.7 116.55 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -104.84 137.46 42.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -132.29 169.53 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 m -115.37 153.43 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 108.363 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.32 155.26 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.36 130.08 55.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -13.24 57.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.409 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -82.3 134.14 35.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -69.75 -41.34 75.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.552 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 8.1 p-90 -59.71 -34.12 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 33.6 t -67.93 -47.32 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.32 -35.72 81.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -44.16 70.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 21' ' ' VAL . 8.6 t -66.8 -37.11 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 56.3 t -59.18 -40.48 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -44.72 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -35.1 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.462 ' CE ' HG23 ' A' ' 24' ' ' ILE . 44.4 mmm -52.6 -43.88 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.82 -31.6 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -43.96 80.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -76.66 -28.48 56.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 31.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -178.89 160.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 88.1 m -120.66 168.66 11.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -94.64 167.12 11.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.9 p -96.89 -177.08 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 179.28 107.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.57 124.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -124.28 152.97 42.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tp -111.21 135.12 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -116.17 -78.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 -163.22 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.07 102.49 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.502 ' O ' ' CG2' ' A' ' 16' ' ' THR . 9.8 m 69.85 -128.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.458 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER 69.94 24.3 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.71 76.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -49.64 99.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.57 145.21 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.04 128.74 11.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG2' ' SD ' ' A' ' 63' ' ' MET . 0.3 OUTLIER -53.13 -38.66 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -56.8 -32.33 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 6.0 mmt180 -88.64 -14.0 38.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -93.76 143.13 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -77.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -130.93 164.71 24.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 15.8 p90 -131.47 161.26 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.48 123.35 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.9 mt -108.11 136.81 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.1 p -106.77 168.49 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 -19.31 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.35 -173.18 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLY . 80.2 p -39.16 -29.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -64.23 -57.9 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.32 48.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.43 156.8 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' A' ' 39' ' ' PHE . 1.1 m -96.28 119.43 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mm -97.38 132.43 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 37' ' ' VAL . 56.1 m-85 -116.21 119.17 34.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.75 132.32 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.3 p -98.03 165.68 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -43.99 74.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -22.25 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.07 5.23 47.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -83.57 130.69 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 0.797 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.87 167.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.63 139.45 48.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -136.46 154.03 50.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.0 132.33 44.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.7 8.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.408 1.741 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -81.96 -11.36 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.79 132.71 34.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.42 -41.72 72.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.526 ' CE2' HG21 ' A' ' 56' ' ' VAL . 4.7 p-90 -59.74 -33.29 71.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 55' ' ' TRP . 74.4 t -68.18 -48.05 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -36.39 80.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -44.28 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.11 -37.42 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.6 t -59.35 -40.18 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -57.87 -43.41 85.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' ARG . 3.4 t -72.5 -48.73 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.496 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 77.1 mmm -42.29 -44.93 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.17 -44.04 87.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.217 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' SER . 4.8 mmt85 -71.01 -37.33 72.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.213 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -64.02 -35.88 82.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.949 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 p -150.8 79.29 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.6 p -61.18 128.07 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -101.39 160.03 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.3 p -150.67 167.78 26.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.77 75.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.7 p -132.29 111.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -139.93 152.92 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 110.375 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -78.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -112.17 -163.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -109.85 101.02 9.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.7 m 73.18 -136.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 81.41 -4.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.2 pt20 -138.65 93.01 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -67.79 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -62.35 139.04 96.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -50.92 -33.2 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -41.35 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.37 14.2 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.448 HG21 ' CE ' ' A' ' 63' ' ' MET . 68.4 mt -116.32 145.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -75.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.471 ' CA ' ' HE3' ' A' ' 63' ' ' MET . 1.9 t -130.16 178.25 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.1 p90 -142.55 154.99 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -132.79 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.476 ' CD1' HG11 ' A' ' 37' ' ' VAL . 49.0 mt -108.69 136.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.7 p -98.07 164.82 12.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -118.19 -18.57 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.56 -168.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -10.54 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.947 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.32 -49.7 8.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 39.61 61.1 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.342 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.58 156.52 30.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 49' ' ' ALA . 30.0 m -96.13 131.5 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 48' ' ' CYS . 10.7 mm -108.78 132.04 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -112.6 117.24 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -98.41 126.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.1 p -91.18 165.18 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -60.32 -33.16 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -23.22 66.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.87 0.79 36.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -82.06 132.13 35.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.527 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 5.1 ptpt -117.51 126.23 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.05 156.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.464 ' CB ' HD11 ' A' ' 38' ' ' ILE . 10.5 p -105.57 144.53 32.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 37' ' ' VAL . . . -145.29 154.74 42.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.01 135.9 47.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 2.89 6.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.32 -11.35 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.85 133.7 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -69.92 -40.98 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.522 ' CD2' ' HG2' ' A' ' 18' ' ' ARG . 5.4 p-90 -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 108.016 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 55' ' ' TRP . 6.6 t -57.22 -48.46 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -67.2 -33.01 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.07 -46.85 79.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.9 m -70.03 -36.75 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.22 -40.31 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.79 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -73.41 -39.41 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.471 ' HE3' ' CA ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -41.54 -40.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.85 -45.27 86.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -69.93 -39.59 76.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -35.67 81.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.896 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -138.68 149.55 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.8 p -89.26 179.58 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.61 161.62 32.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -145.53 168.89 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.94 108.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.4 p -155.91 118.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -99.13 164.73 12.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.565 ' O ' ' CG2' ' A' ' 92' ' ' THR . 0.4 OUTLIER -59.25 179.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.565 ' CG2' ' O ' ' A' ' 91' ' ' LEU . 14.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.35 -76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 52.0 p -115.52 -163.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.518 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.3 m 67.92 -134.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.42 -0.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -137.21 77.63 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.569 ' HA ' ' CH2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -68.41 85.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.49 ' CD1' ' CG2' ' A' ' 41' ' ' THR . 2.3 pt? -92.57 154.2 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.88 20.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.67 -34.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -19.26 63.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.3 mpt_? -96.23 -11.75 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 5.7 mt -97.88 152.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' CG ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -102.08 -83.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 9.2 t -118.79 177.93 4.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 p90 -143.62 159.54 42.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 123.58 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.51 137.12 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -105.37 170.33 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -19.55 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.646 1.216 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.42 -174.0 18.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -40.2 -29.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.43 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -62.67 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 36.43 47.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.62 156.39 34.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.473 HG22 ' CG1' ' A' ' 56' ' ' VAL . 1.3 m -96.62 119.21 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 17.2 mm -98.69 119.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -101.87 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CG2' ' HD2' ' A' ' 46' ' ' LYS . 3.7 mt -101.48 127.59 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.49 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -99.1 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.436 ' CG ' ' HD3' ' A' ' 25' ' ' LYS . 1.3 mtmp? -61.89 -21.21 64.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.222 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -19.24 59.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.66 -1.24 58.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.412 1.07 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -80.47 117.51 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 40' ' ' ILE . 1.5 mtmm -104.6 134.21 48.15 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.37 148.64 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 13' ' ' SER . 9.7 p -97.05 153.64 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.0 155.03 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.86 133.46 55.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 35' ' ' ARG . 18.3 Cg_endo -74.99 2.46 6.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -20.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.9 132.45 44.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.515 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 79.5 m -67.22 -37.08 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 18' ' ' ARG . 6.1 p-90 -72.73 -39.07 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 37' ' ' VAL . 39.5 t -61.12 -51.46 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.515 ' CD ' ' HA ' ' A' ' 54' ' ' THR . 8.0 ptt85 -67.64 -32.59 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' THR . 1.2 m-20 -69.74 -41.54 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.9 t -67.22 -37.13 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 t -58.97 -40.54 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -46.34 91.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.25 -39.19 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.49 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -41.29 -32.7 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.07 -45.99 86.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -38.24 71.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -35.27 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.06 160.07 38.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.0 m -135.18 157.93 45.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -120.05 167.73 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.206 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.8 p -120.95 -178.95 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 179.77 89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.27 117.08 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.0 m -111.14 148.71 32.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.77 121.86 44.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 13' ' ' SER . 6.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -91.16 -83.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 3.7 t -115.56 -163.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' THR . 11.9 mt -101.0 105.1 16.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.7 m 76.98 -133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.08 13.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.434 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -176.39 111.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -87.2 79.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 24' ' ' ILE . 1.1 pt? -65.26 150.9 95.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.38 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 65.5 t -52.64 -35.39 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -20.23 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.891 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.67 -14.5 22.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 30.5 mt -85.92 152.47 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -119.98 -70.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.459 ' CG2' ' HB ' ' A' ' 40' ' ' ILE . 12.5 t -123.65 163.5 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 p90 -139.39 151.75 46.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -132.72 120.11 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.466 ' CG2' HG13 ' A' ' 37' ' ' VAL . 1.4 mm -110.6 137.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -110.31 157.78 19.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -22.61 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -149.39 144.91 12.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 2.4 t 85.99 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -119.36 -48.67 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 45.18 30.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 158.21 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.466 HG13 ' CG2' ' A' ' 29' ' ' ILE . 5.1 m -95.14 132.41 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.41 111.54 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -92.23 119.21 31.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 46' ' ' LYS . 3.6 mt -105.37 135.1 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.407 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 2.0 p -98.68 165.14 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.47 -17.94 64.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -20.19 56.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.84 8.92 53.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.13 115.88 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 0.811 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HE3' ' CD1' ' A' ' 40' ' ' ILE . 52.5 mtpt -92.96 135.7 33.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -133.72 169.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.46 149.96 44.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 108.323 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.51 155.67 36.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.32 131.92 49.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.433 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.06 1.95 7.2 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.83 -15.33 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.17 133.39 36.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -70.29 -39.46 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 28.6 p-90 -59.81 -37.83 80.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -65.58 -48.32 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -35.58 80.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.91 -43.97 70.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 21' ' ' VAL . 2.9 t -63.55 -37.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.075 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.69 -40.52 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.208 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.62 -46.33 90.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -73.16 -42.36 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.428 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -41.85 -29.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.36 -46.73 82.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.1 ptt180 -71.17 -29.6 65.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -36.12 70.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.998 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 m -107.89 173.87 6.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -114.87 164.11 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.99 163.74 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -110.38 177.72 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.442 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -178.49 90.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.58 125.96 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -67.58 169.91 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 92' ' ' THR . 0.6 OUTLIER -109.96 116.83 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 91' ' ' LEU . 65.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 13' ' ' SER . 12.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -100.94 -78.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 4.9 m -118.01 -163.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' THR . 14.9 mt -104.81 105.06 14.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 16' ' ' THR . 5.0 m 76.1 -131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.72 -1.6 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 2.5 pt20 -155.86 68.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.563 ' HD2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -58.6 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' CD1' HG12 ' A' ' 24' ' ' ILE . 2.5 pt? -92.03 154.56 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 141.5 26.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.412 1.743 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -34.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -64.68 -19.8 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 5.5 mpt_? -98.78 10.06 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.484 HG12 ' CD1' ' A' ' 19' ' ' LEU . 11.1 mt -118.69 152.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -75.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.82 165.32 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.441 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 8.6 p90 -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.81 119.91 13.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.454 HD11 ' CB ' ' A' ' 37' ' ' VAL . 1.7 mm -102.0 137.03 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -107.7 160.0 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.437 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.18 -19.78 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.86 -171.02 5.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -26.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 0.745 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.9 mt -65.87 -54.74 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.99 54.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.96 157.25 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG2' ' HB1' ' A' ' 49' ' ' ALA . 5.0 m -95.78 124.09 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 35.8 mm -100.24 113.14 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -97.73 120.35 37.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.78 139.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 p -98.87 168.84 9.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.34 -16.76 63.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.239 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -17.83 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.2 -0.83 43.87 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 116.47 20.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 0.703 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -105.24 137.56 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.4 170.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.4 153.89 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 37' ' ' VAL . . . -153.24 154.89 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.51 129.2 56.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 3.59 5.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.1 -15.26 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.4 135.7 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -69.9 -41.14 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.563 ' CE3' ' HD2' ' A' ' 18' ' ' ARG . 20.6 p-90 -60.68 -42.01 96.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.522 HG22 ' CE2' ' A' ' 55' ' ' TRP . 36.0 t -58.31 -48.8 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -33.11 74.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.34 82.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.384 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.29 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.07 -41.32 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -45.23 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -73.85 -38.59 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.942 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.55 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 46.7 mmm -43.58 -37.71 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -57.79 -40.57 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.203 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.3 ttm180 -70.19 -39.56 75.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' CA ' ' HE2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.47 -35.98 77.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 84' ' ' SER . 8.0 tp60 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER 174.8 155.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -147.33 -164.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -93.77 157.85 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.0 p -127.38 164.27 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.46 99.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.8 p -147.08 109.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tp -111.24 129.25 56.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 -179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 13' ' ' SER . 7.6 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.9 t -96.83 -83.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -108.72 -163.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -108.5 105.23 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' THR . 4.9 m 75.47 -130.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 79.76 18.18 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -176.16 111.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -77.19 81.34 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 136.96 81.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -37.03 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -29.68 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' C ' ' HE3' ' A' ' 42' ' ' LYS . 2.0 mpt_? -88.02 -19.76 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 mt -94.29 150.19 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.25 -77.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.2 t -117.87 172.55 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 9.9 p90 -143.99 155.41 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.95 128.6 36.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.86 135.68 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -108.99 165.99 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.85 -20.28 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.14 -171.3 4.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.385 1.053 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.48 -26.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.08 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -64.07 -59.71 4.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.31 55.12 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.96 156.53 47.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.3 m -96.54 118.0 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.474 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 21.3 mm -97.0 130.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -109.58 119.3 38.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mt -103.76 127.23 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 2.9 p -97.37 164.99 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.35 -30.23 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -20.72 65.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 0.23 55.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -79.87 112.24 16.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -102.81 137.25 41.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -131.46 176.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.474 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 2.7 m -119.22 154.49 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.334 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.24 154.51 34.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.8 128.92 58.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.447 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 1.05 8.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -81.81 -11.65 58.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.68 135.84 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -69.36 -40.39 77.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 10.5 p-90 -62.39 -34.22 76.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.478 HG22 ' CE2' ' A' ' 55' ' ' TRP . 38.5 t -67.18 -48.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -44.42 70.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.5 t -66.69 -38.0 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 53.7 t -59.5 -39.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -42.66 97.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' ARG . 2.6 t -73.19 -44.62 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.557 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 69.3 mmm -40.56 -41.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -58.11 -46.13 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -27.99 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.94 71.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.968 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 165.85 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.2 m -137.96 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -149.56 159.82 43.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.2 p -131.49 -178.86 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.79 115.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.42 123.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.1 m -115.25 152.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.56 162.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.1 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.447 179.99 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 4.8 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG2' ' N ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -81.78 -90.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -105.62 -162.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.056 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' THR . 62.6 mt -105.58 149.92 25.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 16' ' ' THR . 0.9 OUTLIER 36.88 -138.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.523 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.72 -7.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' LEU . 5.0 pt20 -142.61 82.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 59.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.599 ' CD1' ' CG2' ' A' ' 41' ' ' THR . 1.3 pt? -63.29 151.97 85.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.38 20.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.76 -36.15 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -24.72 64.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.44 -18.81 27.51 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 19' ' ' LEU . 10.6 mt -87.33 148.99 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.621 1.201 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -104.39 -75.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.402 ' CA ' ' HE3' ' A' ' 63' ' ' MET . 1.1 t -122.04 166.51 14.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 16.0 p90 -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.16 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.5 mt -111.85 137.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.3 p -111.19 163.56 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -20.12 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.213 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -66.69 -172.2 4.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -42.06 -27.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -64.68 -57.04 10.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.98 52.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.9 156.57 47.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 49' ' ' ALA . 33.3 m -96.13 133.19 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.465 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 11.9 mm -107.84 132.11 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.45 117.72 31.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mt -106.13 128.36 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.599 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -94.0 165.29 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -23.49 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.72 -0.83 39.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -80.54 126.07 30.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 0.725 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 9.5 ptmt -111.96 137.52 49.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.76 172.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.465 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 3.8 m -120.62 138.63 53.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.482 ' O ' ' CG2' ' A' ' 37' ' ' VAL . . . -136.29 152.61 50.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 132.76 51.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 1.77 7.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -12.84 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.401 ' HB3' ' CD1' ' A' ' 55' ' ' TRP . . . -87.33 134.2 33.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.4 m -70.03 -40.94 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.449 ' CE2' HG21 ' A' ' 56' ' ' VAL . 22.2 p-90 -59.76 -42.67 93.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 108.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.449 HG21 ' CE2' ' A' ' 55' ' ' TRP . 23.4 t -57.78 -48.74 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -67.66 -33.04 74.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -46.59 80.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.4 ' HB ' ' CG2' ' A' ' 21' ' ' VAL . 33.9 m -69.5 -36.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.11 -40.31 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -46.1 91.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -73.16 -37.5 66.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.472 ' SD ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -44.63 -46.99 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.79 -31.83 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -70.37 -48.73 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -25.33 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.992 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.5 p -179.73 164.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 86' ' ' ASN . 32.6 m -122.62 171.06 9.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.411 ' N ' HG22 ' A' ' 85' ' ' THR . 5.1 p30 -88.71 168.72 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.0 p -100.38 175.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.28 99.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.95 123.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 91' ' ' LEU . 62.0 m -119.37 150.94 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 92' ' ' THR . 0.9 OUTLIER -107.07 158.27 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 91' ' ' LEU . 8.9 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 63.5 t -100.67 -83.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 24.6 p -109.31 -164.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 4.4 pp -114.44 106.98 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.6 m 83.74 -136.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 83.52 -8.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.452 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 3.9 pt20 -152.56 100.57 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 1.1 ttm180 -81.87 117.06 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.84 160.06 36.6 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 136.38 20.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.35 -35.53 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -58.39 -35.7 72.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -21.82 57.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 4.5 mt -87.93 149.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -131.51 168.76 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 63' ' ' MET . 9.0 p90 -144.06 156.14 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.82 121.72 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.43 HG12 ' CB ' ' A' ' 37' ' ' VAL . 57.2 mt -100.84 137.24 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.418 ' N ' HG21 ' A' ' 29' ' ' ILE . 1.7 p -107.07 160.48 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.35 -20.31 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.81 -173.03 8.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.145 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -39.46 -29.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.942 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.2 mt -63.96 -55.4 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.3 ttt-85 37.71 53.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.06 156.28 48.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 49' ' ' ALA . 2.1 m -96.54 127.07 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.446 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 5.2 mm -98.77 130.38 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 6.1 m-85 -110.68 116.73 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -104.15 130.57 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.0 p -99.04 167.17 10.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -34.64 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -23.47 66.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.56 0.0 42.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.45 116.39 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 2.3 ptpt -104.84 136.68 43.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -132.54 168.66 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 7.9 m -108.32 156.94 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . . . -153.63 155.57 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.07 130.73 51.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 1.28 7.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.81 -16.32 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.37 132.09 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.87 -42.59 73.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 30.9 p-90 -59.71 -43.99 93.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 HG23 ' CZ2' ' A' ' 55' ' ' TRP . 16.3 t -58.03 -48.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -33.52 74.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.18 -46.47 83.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 60' ' ' VAL . 20.4 m -69.48 -36.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' HG21 ' A' ' 59' ' ' VAL . 34.7 t -59.24 -40.59 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.56 89.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.39 -39.81 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.475 ' HG2' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -43.34 -42.42 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.37 -40.88 83.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.9 ttt180 -71.29 -43.82 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -35.95 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 0.0 110.049 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 170.52 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 86' ' ' ASN . 2.2 t -139.76 177.36 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' N ' ' OG1' ' A' ' 85' ' ' THR . 3.1 t-20 -160.72 163.39 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.6 p -146.26 177.03 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.16 108.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.4 p -161.02 119.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.7 m -103.56 152.65 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.56 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 18.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -88.55 -84.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -118.31 -163.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 15' ' ' THR . 12.6 mt -114.63 95.04 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.3 m 77.94 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 82.22 -5.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.417 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -142.1 87.93 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NE ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -69.26 60.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.059 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' CD1' HG22 ' A' ' 41' ' ' THR . 2.2 pt? -57.8 155.47 22.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.16 30.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.534 1.807 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.494 ' CG2' HG21 ' A' ' 59' ' ' VAL . 59.6 t -59.4 -29.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -39.25 87.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.6 1.188 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -85.0 0.68 50.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.429 HG12 ' CD1' ' A' ' 19' ' ' LEU . 96.5 mt -100.52 144.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 26' ' ' THR . 12.6 tppt? -96.85 -87.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 14.8 t -127.55 -176.79 3.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 9.0 p90 -144.12 160.69 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.31 126.19 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 37' ' ' VAL . 27.5 mt -109.44 137.31 42.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.57 1.169 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 p -109.01 164.47 12.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -19.04 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -69.18 -173.29 9.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' GLY . 93.6 p -39.49 -29.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 0.719 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.1 mt -62.76 -56.43 17.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.11 46.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.78 158.04 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 29' ' ' ILE . 34.2 m -94.87 132.6 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 15.7 mm -107.27 124.84 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 1.4 m-85 -106.58 117.43 34.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 2.0 mt -95.8 142.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.475 HG22 ' CD1' ' A' ' 19' ' ' LEU . 12.8 p -99.49 170.79 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -63.89 -39.66 94.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -22.67 58.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.26 40.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.72 126.38 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HE2' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -92.44 127.62 37.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.8 170.69 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 5.1 m -121.7 150.63 41.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 37' ' ' VAL . . . -153.39 146.5 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.63 137.25 44.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.81 6.23 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -13.23 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 129.45 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -70.23 -39.7 74.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.59 ' CE3' ' NE ' ' A' ' 18' ' ' ARG . 7.6 p-90 -59.77 -42.91 94.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' CE2' ' A' ' 55' ' ' TRP . 19.7 t -63.7 -47.73 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 37.3 mtm180 -63.44 -34.56 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -44.11 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.579 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 35.7 t -65.49 -36.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.75 -40.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.195 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -47.46 85.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -73.79 -39.54 64.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.555 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -40.5 -41.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.88 -46.33 85.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 mtt-85 -71.4 -44.9 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.58 1.175 . . . . 0.0 110.25 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.29 74.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.62 155.94 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.3 m -127.23 167.53 15.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -142.26 160.87 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -131.49 -179.92 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.08 85.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.94 127.0 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -127.99 151.8 48.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -109.8 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.384 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -101.76 -77.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m -118.22 -162.54 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -108.69 104.18 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.1 m 70.9 -127.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 16' ' ' THR . 0.6 OUTLIER 75.43 22.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -175.12 110.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 93.86 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.78 135.65 35.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.19 -31.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.95 75.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -6.18 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.5 mt -99.0 139.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.24 -75.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.13 176.44 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 5.5 p90 -144.16 157.76 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.79 120.47 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -110.93 134.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 7.2 p -112.32 172.44 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.452 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -24.73 5.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -166.17 0.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' ARG . 2.9 mt -68.33 -57.14 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.197 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 tpt85 37.16 35.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.253 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 156.83 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.476 HG23 ' CG1' ' A' ' 56' ' ' VAL . 1.4 m -96.52 126.08 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 10.1 mm -97.24 131.96 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.427 ' CE1' HG11 ' A' ' 56' ' ' VAL . 4.7 m-85 -114.14 117.82 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 mt -101.55 135.05 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 p -99.18 167.26 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' NZ ' ' HG2' ' A' ' 25' ' ' LYS . 60.2 mmtt -57.05 -50.26 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -21.3 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 10.08 35.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -80.84 123.15 28.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.421 ' N ' HD11 ' A' ' 45' ' ' LEU . 9.2 ptmt -107.73 136.92 46.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.57 175.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -116.15 152.99 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.06 154.84 35.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.208 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 135.73 40.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.17 6.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -13.3 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.22 128.83 33.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -70.08 -44.61 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.52 ' CE2' HG21 ' A' ' 56' ' ' VAL . 16.0 p-90 -59.86 -44.09 94.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 55' ' ' TRP . 63.8 t -57.58 -48.31 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -67.25 -33.1 74.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -46.87 78.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.88 -36.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.501 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.6 t -58.08 -40.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.67 84.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -34.53 63.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.94 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.574 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -48.26 -42.55 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.49 -31.77 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -48.71 62.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.82 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.7 p -171.47 157.75 4.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 t -148.57 -163.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t30 178.51 167.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.6 p -127.12 168.23 14.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.95 100.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.23 120.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.614 1.196 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -127.52 154.11 45.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -104.66 131.32 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' THR . . . . . 0.41 ' N ' HD11 ' A' ' 91' ' ' LEU . 1.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -68.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.198 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -118.13 -163.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -113.45 100.22 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 m 73.16 -129.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 74.83 2.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.6 pt20 -149.73 87.66 1.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -60.82 81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -75.34 146.52 81.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 131.28 14.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -51.6 -38.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 1.2 t -57.09 -42.69 81.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 7.6 mmt-85 -74.99 -5.32 43.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 14.1 mt -102.34 147.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -103.93 -75.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.42 ' CG2' HD13 ' A' ' 40' ' ' ILE . 5.4 t -125.29 173.3 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CE2' HG12 ' A' ' 60' ' ' VAL . 8.2 p90 -144.26 157.45 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -134.73 119.77 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.4 mt -102.72 137.94 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 p -115.57 161.09 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -119.92 -23.07 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -64.73 -169.32 1.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -41.23 -28.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 0.733 . . . . 0.0 110.032 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.8 mt -65.39 -55.9 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' NE ' ' OE2' ' A' ' 31' ' ' GLU . 0.4 OUTLIER 37.06 49.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.35 157.49 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 37' ' ' VAL . 28.4 m -95.38 132.79 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.3 mm -105.0 133.07 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -116.62 117.3 29.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.453 ' CD1' ' HD2' ' A' ' 46' ' ' LYS . 9.5 mt -102.37 130.68 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -98.83 165.29 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -60.52 -30.24 69.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -21.51 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.02 1.59 48.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.58 128.46 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CD1' ' A' ' 40' ' ' ILE . 1.2 mtmm -112.09 137.24 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.71 171.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 m -119.13 152.49 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 108.252 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' ' CG2' ' A' ' 37' ' ' VAL . . . -153.21 155.12 36.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.41 132.66 55.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 2.22 6.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.581 1.832 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.51 -13.74 57.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.22 127.83 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 58' ' ' ASP . 2.3 m -69.75 -42.32 74.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 18' ' ' ARG . 8.0 p-90 -59.97 -38.91 83.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 75.3 t -64.68 -48.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 2.3 mtp-105 -67.29 -33.57 75.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 5.3 t70 -63.92 -46.03 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 m -70.58 -34.13 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.538 HG12 ' CE2' ' A' ' 27' ' ' TYR . 47.7 t -56.35 -41.73 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . 0.597 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.39 -31.72 69.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.597 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 1.3 t -75.54 -41.03 56.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 81.6 mmm -39.94 -46.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -58.23 -45.87 86.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.36 -34.04 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.53 -36.01 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.1 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.5 p -70.97 120.66 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -63.37 161.87 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -85.66 171.59 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -168.54 83.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.42 122.25 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -139.47 152.13 46.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tp -105.74 135.36 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.1 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.554 ' CG2' ' N ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -107.98 -95.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.554 ' N ' ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -95.79 -164.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 15' ' ' THR . 8.6 mt -106.08 103.68 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.2 m 78.41 -138.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.75 -5.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.93 75.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -66.99 74.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 24' ' ' ILE . 2.6 pt? -76.75 154.5 83.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 135.77 19.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.489 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 1.5 p -51.14 -38.12 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -57.13 -27.95 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -88.35 -12.24 43.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 19' ' ' LEU . 10.1 mt -96.33 150.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -103.42 -85.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.425 ' CA ' ' HE2' ' A' ' 63' ' ' MET . 6.4 t -116.78 170.94 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 13.1 p90 -143.44 161.16 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.0 119.89 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -104.32 137.19 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -109.31 163.04 13.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -20.58 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.52 -172.35 11.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 m -39.13 -30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -61.81 -59.12 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.9 ttt180 37.21 55.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.37 156.33 48.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.536 HG23 ' CE2' ' A' ' 39' ' ' PHE . 1.5 m -96.53 122.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mm -97.22 131.85 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.536 ' CE2' HG23 ' A' ' 37' ' ' VAL . 26.3 m-85 -118.35 117.58 29.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mt -103.67 127.29 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 4.6 p -95.73 165.73 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.4 mtmp? -59.1 -37.14 76.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.31 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.04 3.41 54.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.181 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.411 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.86 122.05 26.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -108.79 136.88 47.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -133.43 169.22 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 13' ' ' SER . 20.0 p -120.44 140.86 50.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -137.77 155.28 49.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' HD21 ' A' ' 14' ' ' LEU . 2.9 m-20 -82.42 134.56 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 3.38 5.68 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -16.1 53.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB2' ' CG2' ' A' ' 56' ' ' VAL . . . -83.15 132.27 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -70.7 -39.9 73.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 22.9 p-90 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.514 HG22 ' CE2' ' A' ' 55' ' ' TRP . 53.7 t -57.86 -47.66 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.18 76.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.7 m -70.6 -35.99 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -58.01 -40.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -47.06 86.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -73.88 -37.59 64.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.564 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -43.0 -35.66 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.74 -42.75 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . 2.6 mtm180 -69.33 -42.27 75.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -36.22 83.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.8 t -137.56 164.07 29.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.7 t -69.53 -163.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.87 152.11 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.5 p -141.14 -177.69 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -165.47 68.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.78 106.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.6 t -78.52 156.4 29.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.95 160.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.46 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.61 -76.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -112.63 -164.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.956 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -109.07 104.28 13.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.555 ' O ' ' CG2' ' A' ' 16' ' ' THR . 16.3 m 69.61 -120.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.555 ' CG2' ' O ' ' A' ' 15' ' ' THR . 2.0 t 62.53 24.86 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -175.85 105.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.4 OUTLIER -81.07 82.54 6.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.26 143.88 91.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.229 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.41 14.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.5 -36.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -56.85 -24.75 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -17.08 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.465 HG22 ' CE ' ' A' ' 63' ' ' MET . 5.6 mt -92.59 152.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -72.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.447 ' CG2' ' HB ' ' A' ' 40' ' ' ILE . 12.1 t -119.18 166.89 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 27' ' ' TYR . 9.8 p90 -143.92 150.66 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.065 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.52 120.31 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' CB ' ' A' ' 37' ' ' VAL . 2.4 mm -106.3 137.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 70.2 p -117.2 161.24 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.44 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.59 -19.67 6.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -68.43 -168.31 4.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 4.6 m -38.92 -31.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.6 mt -65.78 -55.18 18.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 36.56 47.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.47 157.11 47.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.449 ' CB ' HD12 ' A' ' 29' ' ' ILE . 25.5 m -95.86 132.28 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 48' ' ' CYS . 24.1 mm -111.26 120.65 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 17.2 m-85 -106.27 116.74 32.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.447 ' HB ' ' CG2' ' A' ' 26' ' ' THR . 7.5 mt -100.99 129.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 1.3 p -99.1 165.03 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -17.01 61.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 -18.29 48.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.93 -1.07 59.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 1.0 OUTLIER -81.65 111.39 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 4.8 ptpt -101.92 137.5 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.95 153.99 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.485 ' CB ' HD11 ' A' ' 38' ' ' ILE . 10.1 p -106.82 139.8 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -140.51 155.45 46.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.92 131.22 60.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 3.8 5.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -12.35 59.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.9 132.72 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.04 -37.98 81.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 6.6 p-90 -62.46 -35.28 78.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.504 HG22 ' CE2' ' A' ' 55' ' ' TRP . 43.0 t -67.48 -48.06 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -64.77 -33.3 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -44.32 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.64 -37.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.8 -40.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -46.06 92.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.6 t -73.04 -42.95 62.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.473 ' HG2' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -40.85 -36.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -61.12 -47.03 88.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.33 -30.16 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.175 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -36.16 83.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -159.29 153.09 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -111.51 -163.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -168.66 163.85 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 78.9 p -124.75 166.44 16.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 179.55 98.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.9 p -133.01 121.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -106.43 150.66 25.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tp -101.96 127.36 48.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' SER . 14.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.72 -80.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.52 -163.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -107.5 105.0 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.0 m 72.58 -125.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 16' ' ' THR . 0.5 OUTLIER 70.3 19.77 6.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -173.16 111.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.0 85.8 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 138.66 73.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.86 10.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 22' ' ' SER . 6.1 p -52.01 -32.42 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.522 ' N ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -59.77 -22.88 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.26 -19.93 16.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 10.3 mt -82.6 145.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.47 ' CG ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -96.93 -72.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -131.6 -178.4 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.6 p90 -144.15 153.7 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.18 124.29 24.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.43 137.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.9 p -107.54 163.43 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -117.1 -18.21 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.61 -167.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 p -64.21 -10.19 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 0.703 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.2 tp -82.79 -52.43 6.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.7 ttp180 38.09 76.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.33 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 51' ' ' PRO . 3.0 m -96.63 117.46 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.456 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 15.8 mm -96.18 132.64 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 37' ' ' VAL . 45.2 m-85 -112.73 118.73 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 mt -101.18 132.91 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 9.6 p -98.95 167.04 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -56.05 -47.41 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -21.82 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.76 5.99 47.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.84 121.73 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HE2' ' CG2' ' A' ' 38' ' ' ILE . 5.2 ptmt -106.6 136.85 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.217 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.67 176.1 7.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -121.43 151.4 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . . . -152.82 154.64 35.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 130.67 50.95 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -16.2 52.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.59 131.72 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.99 -38.78 76.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.435 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.555 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.4 p-90 -59.96 -39.54 85.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 55' ' ' TRP . 24.9 t -67.97 -48.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -61.39 -33.72 74.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.62 -44.07 71.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' CE3' ' A' ' 55' ' ' TRP . 2.4 t -66.36 -36.92 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.2 t -58.94 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -44.44 87.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' ARG . 2.0 t -73.35 -43.53 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 62.5 mmm -41.4 -33.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.05 -46.96 86.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.43 -29.06 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.12 82.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.54 170.17 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.9 m -140.81 166.96 23.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.58 153.18 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.8 p -135.55 -179.88 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.6 109.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.8 p -159.56 120.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -121.65 152.5 39.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.96 161.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.372 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.69 -76.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.66 -163.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.51 102.18 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.2 m 70.7 -136.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 80.76 -4.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -140.12 85.89 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -64.62 86.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.229 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.15 141.01 46.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.19 14.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.33 -25.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -64.66 -29.72 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -25.73 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG2' ' HE2' ' A' ' 63' ' ' MET . 12.5 mt -82.61 145.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.68 -77.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 16.9 p90 -142.99 161.28 38.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.72 124.54 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.5 mt -110.7 137.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.0 p -101.75 165.87 10.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.18 -20.39 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.02 -166.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -10.56 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.437 ' CD1' ' HB1' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -82.45 -52.3 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' LEU . 27.5 ttt180 37.82 62.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 34' ' ' LEU . . . -121.56 156.47 32.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 m -96.6 119.66 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.433 HD13 ' CB ' ' A' ' 48' ' ' CYS . 15.9 mm -98.65 132.56 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -116.94 117.87 30.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -100.04 129.31 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 1.2 p -99.44 166.58 11.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -25.05 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.389 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -19.86 61.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -0.41 57.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -81.14 110.86 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.12 130.59 45.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.77 156.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.233 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.433 ' CB ' HD13 ' A' ' 38' ' ' ILE . 10.6 p -104.9 151.21 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.68 154.35 39.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.85 131.06 58.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.758 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -7.76 59.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.18 127.2 35.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -67.29 -39.31 85.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.517 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 4.6 p-90 -62.18 -35.74 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 t -68.2 -47.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -36.38 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.12 -44.28 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -36.27 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.73 -40.88 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.88 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -33.36 67.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.593 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 18.9 tpp -62.05 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 63' ' ' MET . 4.0 t0 -56.41 -31.47 63.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -26.75 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -36.44 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 p -169.9 170.09 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 t -171.82 -162.75 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 174.49 167.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.0 p -154.17 179.46 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.36 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.3 p -145.2 109.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 m -146.78 156.46 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tp -112.75 135.09 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.8 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.951 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 13' ' ' SER . 7.7 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.35 -84.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -112.27 -163.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' CA ' ' A' ' 49' ' ' ALA . 7.8 mt -106.05 104.91 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 16' ' ' THR . 3.6 m 71.73 -131.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.22 12.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.365 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 179.97 106.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 3.2 ttm105 -63.05 84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm? -53.64 142.4 42.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.92 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.477 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 69.6 t -51.05 -38.76 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -17.17 7.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -107.84 -15.51 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -84.27 142.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -78.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -122.74 175.64 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' ' 63' ' ' MET . 5.6 p90 -144.39 159.79 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -136.42 120.1 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -101.73 133.56 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -97.09 160.5 14.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.21 -20.46 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.69 -172.6 16.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.38 -28.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -63.38 -56.71 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.05 62.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.77 155.95 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 51' ' ' PRO . 1.8 m -97.09 118.31 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 28' ' ' THR . 18.1 mm -96.85 131.49 43.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -112.18 119.63 39.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.478 HG12 ' CG ' ' A' ' 46' ' ' LYS . 2.9 mt -98.14 127.41 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -99.82 164.91 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.41 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -18.59 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.13 8.97 64.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -80.41 118.71 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.72 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.478 ' CG ' HG12 ' A' ' 40' ' ' ILE . 3.1 mtpt -92.33 124.55 36.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.408 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -118.11 171.5 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.92 144.08 50.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.227 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.422 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -143.46 154.2 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.68 130.5 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.46 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.03 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -7.85 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -88.32 127.56 35.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.601 1.188 . . . . 0.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -70.18 -38.4 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.552 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 4.7 p-90 -60.28 -32.8 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.51 HG21 ' CE2' ' A' ' 55' ' ' TRP . 63.9 t -65.28 -47.82 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -35.13 77.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -43.78 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.421 HG23 ' CG2' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -63.04 -36.1 74.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.4 t -57.27 -40.89 76.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.86 93.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -34.91 64.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -73.54 -48.49 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' N ' ' CG ' ' A' ' 63' ' ' MET . 28.9 t0 -54.36 -45.81 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.068 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -25.55 63.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -36.79 46.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 63' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.86 168.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.1 m -132.16 171.42 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -90.28 158.51 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.9 p -135.61 159.86 40.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.3 110.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.8 p -155.97 114.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.6 m -144.2 151.62 39.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.16 134.41 52.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.85 -91.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -110.03 -163.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.458 HD23 ' CA ' ' A' ' 49' ' ' ALA . 10.6 mt -112.63 93.11 4.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.5 m 71.73 -133.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.6 -7.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 6.7 pt20 -146.36 88.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.506 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -54.12 89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -68.45 160.64 75.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.02 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.531 ' CG1' ' HB ' ' A' ' 59' ' ' VAL . 92.1 t -51.38 -43.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -17.76 9.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -101.82 0.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 64.7 mt -92.12 139.37 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 63' ' ' MET . 3.4 ttpt -93.97 -80.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.496 ' CG2' ' CD1' ' A' ' 40' ' ' ILE . 3.1 t -122.75 175.37 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 23.2 p90 -145.47 148.92 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.29 119.46 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.412 ' CD1' HG11 ' A' ' 37' ' ' VAL . 46.0 mt -111.72 137.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' THR . . . . . 0.423 ' C ' ' HA ' ' A' ' 35' ' ' ARG . 68.5 p -127.13 178.65 5.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -130.95 -15.17 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -51.49 -171.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 p -48.22 -20.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -87.09 -52.07 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 34' ' ' LEU . 19.4 ptt85 35.98 67.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.67 157.79 45.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 37' ' ' VAL . 15.7 m -95.17 122.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 4.0 mm -95.52 133.96 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.459 ' CE2' HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -112.71 117.94 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . 0.496 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 3.4 mt -99.23 135.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 2.6 p -99.54 164.4 12.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -56.81 -37.15 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.24 -24.21 62.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.69 -0.28 34.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -81.26 134.63 35.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.638 0.846 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 5.7 ptpt -115.77 134.77 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -123.37 165.42 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.26 151.6 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.458 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -153.25 157.06 39.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.4 134.96 39.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 1.53 7.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -14.76 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 56' ' ' VAL . . . -78.92 123.94 27.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.96 -39.76 79.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 19.3 p-90 -59.54 -42.19 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 39' ' ' PHE . 73.0 t -60.22 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -32.92 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -48.44 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.531 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 24.9 m -70.81 -33.22 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . 0.5 ' N ' HG23 ' A' ' 59' ' ' VAL . 2.9 t -56.47 -41.52 72.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -47.72 84.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.4 t -73.66 -47.97 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 52.5 mmm -38.32 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 t70 -57.01 -47.63 80.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.4 ptt85 -72.19 -30.02 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.36 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.4 p 178.98 134.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -142.32 164.2 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 177.96 155.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -129.21 164.11 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.2 99.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.244 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.0 p -147.72 113.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.0 m -115.74 151.72 34.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -109.62 132.5 54.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.415 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.56 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 76.0 t -75.07 -88.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' SER . . . . . 0.499 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER -117.13 -167.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' THR . 94.0 mt -91.5 150.47 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' CB ' ' A' ' 16' ' ' THR . 0.9 OUTLIER 37.02 -137.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 86.39 9.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 179.97 106.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.61 104.15 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.227 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.6 139.92 21.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 133.2 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' VAL . . . . . 0.425 ' CG2' HG13 ' A' ' 59' ' ' VAL . 14.8 t -51.22 -31.7 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.35 -25.23 67.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -27.17 15.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 mt -83.02 142.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -77.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -125.6 174.91 7.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 9.6 p90 -144.51 160.41 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.35 126.74 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -108.3 136.98 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.7 p -107.39 163.92 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.67 -19.77 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.12 -171.36 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -27.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.1 mt -64.37 -56.21 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER 37.39 45.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.36 157.11 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' VAL . . . . . 0.409 HG23 ' CG1' ' A' ' 56' ' ' VAL . 1.1 m -95.89 130.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ILE . . . . . 0.451 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 9.6 mm -104.65 132.53 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CE2' ' HB1' ' A' ' 49' ' ' ALA . 20.7 m-85 -116.03 117.73 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.3 mt -98.88 131.04 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 17.2 p -99.38 172.12 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -39.54 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -21.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.36 3.62 47.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -80.15 115.46 19.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -102.11 134.04 46.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -129.73 168.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 13' ' ' SER . 0.3 OUTLIER -116.62 154.05 31.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.371 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -147.07 154.43 41.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.494 ' CG ' ' CG ' ' A' ' 52' ' ' GLN . 1.6 t0 -80.27 126.44 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -82.81 -20.8 35.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 137.68 38.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -70.25 -37.63 74.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.1 p-90 -59.61 -39.82 85.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 107.925 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.409 ' CG1' HG23 ' A' ' 37' ' ' VAL . 73.6 t -66.25 -48.09 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.35 -34.4 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.71 -44.36 70.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' VAL . . . . . 0.425 HG13 ' CG2' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -62.88 -36.45 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -46.91 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -73.88 -31.56 63.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' MET . . . . . 0.563 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 13.2 tpp -73.01 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.48 -46.01 73.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 16.9 ptt180 -69.43 -26.43 64.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.628 1.205 . . . . 0.0 110.223 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -80.06 -36.29 35.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' MET . 23.0 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.51 167.9 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.1 m -99.77 163.69 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 -173.68 3.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.1 p -128.33 -176.04 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 171.15 90.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.0 124.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -107.83 152.77 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.48 130.4 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.8 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.43 179.971 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.4 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.59 140.19 5.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.3 -172.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -73.75 175.92 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLU . 2.7 p 36.58 87.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.48 -7.97 21.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -133.21 -45.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 84.4 178.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 8.7 ttt180 -91.23 -66.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 m -56.69 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -177.98 -154.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.37 -75.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -109.84 -163.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.7 mt -111.72 97.92 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.6 m 74.58 -137.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.84 -7.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 pt20 -141.4 89.03 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -70.27 87.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.1 mp -80.94 142.88 52.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 138.51 23.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.554 1.818 . . . . 0.0 110.991 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.422 ' CG2' HG11 ' A' ' 59' ' ' VAL . 51.5 t -51.93 -31.45 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -62.26 -26.69 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.18 -3.64 47.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 mt -107.01 148.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.46 -77.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 3.0 t -120.02 170.77 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . . . . . . . . . 6.4 p90 -140.29 155.59 46.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.75 122.93 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mt -113.42 129.58 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 p -101.67 165.0 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.52 -20.14 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.66 -171.72 5.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.27 -27.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -63.53 -58.81 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 1.5 ttp85 37.39 51.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.27 44.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.437 HG21 ' CE2' ' A' ' 39' ' ' PHE . 2.1 m -96.67 119.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 24.5 mm -99.89 124.43 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.437 ' CE2' HG21 ' A' ' 37' ' ' VAL . 19.7 m-85 -111.75 117.92 34.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.8 mt -100.79 133.08 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.1 p -99.38 165.61 11.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.43 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -10.51 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 -17.43 32.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.24 -3.25 54.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.12 117.29 20.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 9' ' ' ARG . 4.8 ptpt -107.32 135.42 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -131.87 156.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 13' ' ' SER . 7.4 p -108.23 155.01 20.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.27 155.1 37.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -80.44 130.39 65.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.08 -9.27 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.464 ' HB2' ' CG2' ' A' ' 56' ' ' VAL . . . -90.24 130.54 36.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.3 m -69.28 -38.13 78.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.562 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 1.8 p-90 -60.05 -36.34 77.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.464 ' CG2' ' HB2' ' A' ' 53' ' ' ALA . 76.9 t -68.01 -48.1 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.64 -44.31 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.422 HG11 ' CG2' ' A' ' 21' ' ' VAL . 1.7 t -67.22 -37.33 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.65 -40.26 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -45.62 85.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.9 t -70.89 -46.87 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 60.7 mmm -42.07 -41.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 68' ' ' ASN . 14.6 t0 -58.28 -43.71 88.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 16.2 ttt180 -71.23 -33.51 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -67.75 -36.13 79.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.57 39.69 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -69.43 -51.29 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.1 m -113.31 57.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 71' ' ' ASN . 3.2 ttt85 -164.33 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' ND2' ' OG1' ' A' ' 26' ' ' THR . 36.3 t-20 -40.26 -64.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 179.74 67.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.4 ' O ' ' CG ' ' A' ' 73' ' ' MET . 0.0 OUTLIER -80.36 50.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.1 pp -151.37 166.93 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -157.95 88.9 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 p -40.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.31 101.08 53.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -93.29 161.69 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -132.94 -111.27 1.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.436 1.085 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 8.8 t -156.57 -138.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.425 ' N ' ' OG1' ' A' ' 81' ' ' THR . 0.0 OUTLIER -166.08 169.92 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -153.96 161.94 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.3 p -162.9 171.41 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -152.21 162.35 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -139.76 171.32 14.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.0 p -148.83 178.05 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.99 109.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.1 p -159.58 118.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -117.73 149.23 41.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.09 155.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 t -96.95 134.7 39.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.36 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.09 -158.33 9.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.16 -179.01 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.5 123.94 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 6' ' ' SER . 53.4 t -134.88 158.88 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 82.73 -10.67 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.8 -29.87 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.203 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 169.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.82 -69.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -106.9 -42.43 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.43 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 2.5 p -146.63 -157.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.639 1.212 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -110.51 -91.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -163.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.8 mt -108.61 105.14 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.461 ' O ' ' CG2' ' A' ' 16' ' ' THR . 7.7 m 72.21 -132.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.461 ' CG2' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.51 -0.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LEU . 5.1 pt20 -146.31 90.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -65.53 73.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -67.56 144.69 97.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 133.0 16.2 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.457 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.61 -36.29 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -58.92 -25.69 63.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 -18.04 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.462 HG23 ' CE ' ' A' ' 63' ' ' MET . 8.0 mt -93.02 151.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -72.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.472 ' CG2' HD12 ' A' ' 40' ' ' ILE . 7.1 t -120.66 167.2 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 p90 -138.78 161.17 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -144.08 122.49 12.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 110.386 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.4 ' N ' ' CD1' ' A' ' 29' ' ' ILE . 2.0 mp -104.81 137.04 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -102.4 160.56 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.476 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -19.89 8.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.72 -172.33 7.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -25.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -65.74 -57.1 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 37.56 62.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.4 156.54 48.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.507 HG23 ' CE2' ' A' ' 39' ' ' PHE . 3.5 m -96.16 116.64 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 17.6 mm -94.7 130.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.507 ' CE2' HG23 ' A' ' 37' ' ' VAL . 42.2 m-85 -111.7 117.3 32.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.472 HD12 ' CG2' ' A' ' 26' ' ' THR . 7.6 mt -103.24 123.95 57.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 2.2 p -93.84 165.33 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -27.77 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -21.24 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.79 -0.59 52.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.428 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -79.7 116.55 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.463 ' HD2' ' CG2' ' A' ' 40' ' ' ILE . 1.0 OUTLIER -104.84 137.46 42.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.416 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -132.29 169.53 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.5 m -115.37 153.43 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 108.363 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.32 155.26 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.36 130.08 55.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -13.24 57.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.409 ' CB ' HG23 ' A' ' 56' ' ' VAL . . . -82.3 134.14 35.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -69.75 -41.34 75.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.552 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 8.1 p-90 -59.71 -34.12 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.513 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 33.6 t -67.93 -47.32 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.32 -35.72 81.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -44.16 70.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.454 HG12 ' CG2' ' A' ' 21' ' ' VAL . 8.6 t -66.8 -37.11 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.513 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 56.3 t -59.18 -40.48 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -44.72 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -35.1 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.462 ' CE ' HG23 ' A' ' 24' ' ' ILE . 44.4 mmm -52.6 -43.88 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' ASN . 5.8 t0 -69.82 -31.6 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -43.96 80.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -76.66 -28.48 56.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.425 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 31.3 t -117.58 43.33 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -69.68 -55.6 9.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 t -39.24 -33.65 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.463 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' ASN . 7.1 ttt180 -38.99 -40.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' MET . 55.8 m-20 -39.41 105.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' ILE . 35.2 m-20 39.67 29.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.606 1.191 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' ASN . 5.0 mmm 69.03 -58.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -141.69 140.0 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.43 62.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.6 m -162.52 139.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -42.13 153.56 0.29 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 137.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.6 p -64.52 178.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.55 -94.18 1.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 8.8 t -162.08 -143.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.456 ' N ' ' OG1' ' A' ' 81' ' ' THR . 1.6 tt0 -141.86 169.18 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.25 157.07 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -178.89 160.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 88.1 m -120.66 168.66 11.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.417 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.1 p30 -94.64 167.12 11.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.9 p -96.89 -177.08 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 179.28 107.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.57 124.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -124.28 152.97 42.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tp -111.21 135.12 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 3.6 t -66.43 146.92 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.56 -140.25 36.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.92 -173.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 0.805 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -68.06 179.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.429 ' CG2' ' HG3' ' A' ' 8' ' ' LYS . 2.7 p 42.01 79.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 -11.74 46.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.85 -45.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.429 ' HG3' ' CG2' ' A' ' 5' ' ' VAL . 0.0 OUTLIER 78.54 161.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -122.88 -69.01 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -131.87 -44.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.39 -149.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 108.224 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -116.17 -78.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 -163.22 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.4 mt -114.07 102.49 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.502 ' O ' ' CG2' ' A' ' 16' ' ' THR . 9.8 m 69.85 -128.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.458 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.502 ' CG2' ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER 69.94 24.3 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.71 76.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -49.64 99.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.57 145.21 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.04 128.74 11.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.427 ' CG2' ' SD ' ' A' ' 63' ' ' MET . 0.3 OUTLIER -53.13 -38.66 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -56.8 -32.33 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 6.0 mmt180 -88.64 -14.0 38.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 11.0 mt -93.76 143.13 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -77.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -130.93 164.71 24.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 15.8 p90 -131.47 161.26 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.48 123.35 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.9 mt -108.11 136.81 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.1 p -106.77 168.49 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 -19.31 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.35 -173.18 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLY . 80.2 p -39.16 -29.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -64.23 -57.9 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.32 48.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.43 156.8 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.569 HG22 ' CE2' ' A' ' 39' ' ' PHE . 1.1 m -96.28 119.43 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 23.3 mm -97.38 132.43 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' HG22 ' A' ' 37' ' ' VAL . 56.1 m-85 -116.21 119.17 34.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.75 132.32 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.3 p -98.03 165.68 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -43.99 74.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.26 -22.25 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.07 5.23 47.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.415 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -83.57 130.69 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 0.797 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -114.87 167.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -112.63 139.45 48.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -136.46 154.03 50.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -86.0 132.33 44.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.7 8.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.408 1.741 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -81.96 -11.36 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.79 132.71 34.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.42 -41.72 72.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.526 ' CE2' HG21 ' A' ' 56' ' ' VAL . 4.7 p-90 -59.74 -33.29 71.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.526 HG21 ' CE2' ' A' ' 55' ' ' TRP . 74.4 t -68.18 -48.05 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -36.39 80.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -44.28 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.11 -37.42 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 8.6 t -59.35 -40.18 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -57.87 -43.41 85.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' ARG . 3.4 t -72.5 -48.73 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.496 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 77.1 mmm -42.29 -44.93 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 68' ' ' ASN . 13.2 t0 -58.17 -44.04 87.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.217 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' SER . 4.8 mmt85 -71.01 -37.33 72.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.213 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -64.02 -35.88 82.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 t -128.78 47.84 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.2 m-20 -83.78 -70.09 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.5 mtt180 -59.44 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t30 63.47 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 73' ' ' MET . 67.7 m-80 -96.85 -39.23 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.529 ' C ' ' O ' ' A' ' 72' ' ' ASN . 4.2 ptm 26.95 90.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.529 ' CG2' ' O ' ' A' ' 73' ' ' MET . 2.0 pp -169.54 159.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -128.13 80.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -77.73 104.71 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 81.57 44.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 137.83 22.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.578 1.83 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -108.96 168.55 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.5 95.58 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 10.8 m -84.99 -178.46 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -160.83 171.21 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -158.35 150.09 21.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 p -150.8 79.29 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.6 p -61.18 128.07 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -101.39 160.03 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.3 p -150.67 167.78 26.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.77 75.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.7 p -132.29 111.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -139.93 152.92 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 t -119.87 136.88 54.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 110.375 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.53 137.74 3.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -160.69 -64.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.985 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 3' ' ' SER . 3.8 pt-20 -33.0 102.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.4 OUTLIER -155.48 170.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 88.22 -22.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.74 -30.34 16.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -107.51 -176.82 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 6.7 tpt180 -129.66 -68.27 0.73 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.56 -45.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -117.02 -164.22 0.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 108.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -78.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -112.17 -163.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 9.1 mt -109.85 101.02 9.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.483 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.7 m 73.18 -136.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.483 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 81.41 -4.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.2 pt20 -138.65 93.01 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -67.79 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -62.35 139.04 96.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -50.92 -33.2 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -41.35 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.37 14.2 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.448 HG21 ' CE ' ' A' ' 63' ' ' MET . 68.4 mt -116.32 145.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -75.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.471 ' CA ' ' HE3' ' A' ' 63' ' ' MET . 1.9 t -130.16 178.25 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.1 p90 -142.55 154.99 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -132.79 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.476 ' CD1' HG11 ' A' ' 37' ' ' VAL . 49.0 mt -108.69 136.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.7 p -98.07 164.82 12.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -118.19 -18.57 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.56 -168.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -10.54 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.947 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 1.7 tp -84.32 -49.7 8.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 39.61 61.1 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.342 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -119.58 156.52 30.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.269 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.478 ' CG2' ' O ' ' A' ' 49' ' ' ALA . 30.0 m -96.13 131.5 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.464 HD11 ' CB ' ' A' ' 48' ' ' CYS . 10.7 mm -108.78 132.04 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -112.6 117.24 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -98.41 126.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.403 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.1 p -91.18 165.18 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -60.32 -33.16 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -23.22 66.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.87 0.79 36.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -82.06 132.13 35.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.527 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 5.1 ptpt -117.51 126.23 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.05 156.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.464 ' CB ' HD11 ' A' ' 38' ' ' ILE . 10.5 p -105.57 144.53 32.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.478 ' O ' ' CG2' ' A' ' 37' ' ' VAL . . . -145.29 154.74 42.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -82.01 135.9 47.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 2.89 6.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.32 -11.35 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.85 133.7 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -69.92 -40.98 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.522 ' CD2' ' HG2' ' A' ' 18' ' ' ARG . 5.4 p-90 -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 108.016 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.438 HG23 ' CE2' ' A' ' 55' ' ' TRP . 6.6 t -57.22 -48.46 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -67.2 -33.01 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.07 -46.85 79.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 32.9 m -70.03 -36.75 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.22 -40.31 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.79 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -73.41 -39.41 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.471 ' HE3' ' CA ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -41.54 -40.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 t0 -57.85 -45.27 86.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -69.93 -39.59 76.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -35.67 81.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -123.91 47.08 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.896 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -66.31 -52.6 45.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.41 -57.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 13.0 ttt85 -54.65 -62.14 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.14 -66.31 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.3 m-20 -172.43 34.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.28 -57.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 pt -140.21 132.15 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.64 63.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 m -57.6 134.8 56.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.74 85.75 1.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 154.76 43.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 m -120.8 164.43 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.82 -117.11 3.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.456 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 8.9 t -165.23 -144.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.456 ' N ' ' OG1' ' A' ' 81' ' ' THR . 1.7 tt0 -156.15 173.13 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.92 157.35 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -138.68 149.55 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.8 p -89.26 179.58 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.61 161.62 32.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -145.53 168.89 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.94 108.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.4 p -155.91 118.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -99.13 164.73 12.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.565 ' O ' ' CG2' ' A' ' 92' ' ' THR . 0.4 OUTLIER -59.25 179.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.565 ' CG2' ' O ' ' A' ' 91' ' ' LEU . 14.2 t 52.06 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 14.2 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.06 -142.15 9.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.9 138.19 49.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.19 174.42 7.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 6' ' ' SER . 17.4 t -120.59 164.1 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 86.39 -17.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 12.9 p-10 -108.43 -52.37 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 7' ' ' ASP . 9.1 ptmt -41.41 -39.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -65.35 -58.53 5.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.2 m -151.56 -78.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -178.23 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 108.255 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.35 -76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 52.0 p -115.52 -163.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.6 mt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.518 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.3 m 67.92 -134.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.518 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.42 -0.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -137.21 77.63 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' HA ' ' CH2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -68.41 85.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.49 ' CD1' ' CG2' ' A' ' 41' ' ' THR . 2.3 pt? -92.57 154.2 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.88 20.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.459 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.67 -34.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -19.26 63.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.417 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.3 mpt_? -96.23 -11.75 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.459 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 5.7 mt -97.88 152.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' HD3' ' CG ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -102.08 -83.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.434 HG21 ' CB ' ' A' ' 73' ' ' MET . 9.2 t -118.79 177.93 4.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 p90 -143.62 159.54 42.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 123.58 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.51 137.12 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -105.37 170.33 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -19.55 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.646 1.216 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.42 -174.0 18.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -40.2 -29.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.43 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.5 OUTLIER -62.67 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.471 ' CZ ' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 36.43 47.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -122.62 156.39 34.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.473 HG22 ' CG1' ' A' ' 56' ' ' VAL . 1.3 m -96.62 119.21 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 17.2 mm -98.69 119.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -101.87 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.449 ' CG2' ' HD2' ' A' ' 46' ' ' LYS . 3.7 mt -101.48 127.59 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.49 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -99.1 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.436 ' CG ' ' HD3' ' A' ' 25' ' ' LYS . 1.3 mtmp? -61.89 -21.21 64.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.222 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -19.24 59.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.66 -1.24 58.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.412 1.07 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.5 OUTLIER -80.47 117.51 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD2' ' CG2' ' A' ' 40' ' ' ILE . 1.5 mtmm -104.6 134.21 48.15 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.1 t -133.37 148.64 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.412 ' SG ' ' O ' ' A' ' 13' ' ' SER . 9.7 p -97.05 153.64 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.0 155.03 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.86 133.46 55.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.471 ' HG2' ' CZ ' ' A' ' 35' ' ' ARG . 18.3 Cg_endo -74.99 2.46 6.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -20.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -71.9 132.45 44.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.515 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 79.5 m -67.22 -37.08 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CH2' ' HA ' ' A' ' 18' ' ' ARG . 6.1 p-90 -72.73 -39.07 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG1' HG22 ' A' ' 37' ' ' VAL . 39.5 t -61.12 -51.46 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.515 ' CD ' ' HA ' ' A' ' 54' ' ' THR . 8.0 ptt85 -67.64 -32.59 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' THR . 1.2 m-20 -69.74 -41.54 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 5.9 t -67.22 -37.13 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 7.1 t -58.97 -40.54 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -46.34 91.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.25 -39.19 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.49 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -41.29 -32.7 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.07 -45.99 86.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -38.24 71.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -35.27 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.29 37.05 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.55 -53.54 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 13.4 t -101.32 45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' CG ' ' N ' ' A' ' 71' ' ' ASN . 0.5 OUTLIER -46.05 -44.47 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.462 ' N ' ' CG ' ' A' ' 70' ' ' ARG . 10.8 m-20 50.07 62.55 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' MET . 24.7 m-80 40.27 66.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.458 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.49 -50.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.056 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.458 ' CG2' ' O ' ' A' ' 73' ' ' MET . 1.0 OUTLIER -159.03 137.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -108.92 61.94 0.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 p -78.82 137.18 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 146.9 33.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.08 161.59 38.29 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 10.0 t -134.41 -164.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.443 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . 162.97 100.6 0.15 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.94 168.59 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.17 147.17 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.31 161.43 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.06 160.07 38.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.0 m -135.18 157.93 45.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -120.05 167.73 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.206 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 55.8 p -120.95 -178.95 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 179.77 89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.7 p -124.27 117.08 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.0 m -111.14 148.71 32.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.77 121.86 44.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.42 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 80.6 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 49.63 -179.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.22 -179.92 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.79 142.56 30.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 6' ' ' SER . 93.8 t -151.15 154.65 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.229 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 83.41 -11.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -106.35 -32.21 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 167.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.53 -69.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.92 -48.9 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.382 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 13' ' ' SER . 6.1 p -134.7 -159.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -91.16 -83.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 3.7 t -115.56 -163.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.418 ' O ' ' CB ' ' A' ' 15' ' ' THR . 11.9 mt -101.0 105.1 16.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.503 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.7 m 76.98 -133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.503 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.08 13.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.434 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -176.39 111.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -87.2 79.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.473 ' CD1' HG12 ' A' ' 24' ' ' ILE . 1.1 pt? -65.26 150.9 95.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.38 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.483 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 65.5 t -52.64 -35.39 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -20.23 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.891 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.67 -14.5 22.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.483 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 30.5 mt -85.92 152.47 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -119.98 -70.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.459 ' CG2' ' HB ' ' A' ' 40' ' ' ILE . 12.5 t -123.65 163.5 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 p90 -139.39 151.75 46.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -132.72 120.11 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.466 ' CG2' HG13 ' A' ' 37' ' ' VAL . 1.4 mm -110.6 137.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -110.31 157.78 19.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -22.61 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -149.39 144.91 12.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 2.4 t 85.99 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -119.36 -48.67 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 45.18 30.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 158.21 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.466 HG13 ' CG2' ' A' ' 29' ' ' ILE . 5.1 m -95.14 132.41 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 40.9 mm -112.41 111.54 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -92.23 119.21 31.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.462 ' CD1' ' HE3' ' A' ' 46' ' ' LYS . 3.6 mt -105.37 135.1 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.407 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 2.0 p -98.68 165.14 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.47 -17.94 64.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -20.19 56.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.84 8.92 53.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.13 115.88 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 0.811 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.462 ' HE3' ' CD1' ' A' ' 40' ' ' ILE . 52.5 mtpt -92.96 135.7 33.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -133.72 169.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -123.46 149.96 44.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 108.323 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.415 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.51 155.67 36.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -84.32 131.92 49.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.433 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.06 1.95 7.2 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.83 -15.33 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.17 133.39 36.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -70.29 -39.46 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.562 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 28.6 p-90 -59.81 -37.83 80.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 4.9 t -65.58 -48.32 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -35.58 80.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.91 -43.97 70.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.473 ' CG1' HG23 ' A' ' 21' ' ' VAL . 2.9 t -63.55 -37.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.075 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.69 -40.52 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.208 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.62 -46.33 90.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -73.16 -42.36 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.428 ' HB3' ' CE1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -41.85 -29.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ASN . 8.0 t0 -64.36 -46.73 82.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.1 ptt180 -71.17 -29.6 65.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -36.12 70.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -127.88 45.76 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.1 t-20 -67.96 -62.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.453 ' O ' ' CG2' ' A' ' 69' ' ' THR . 1.3 m -153.18 67.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.16 -63.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 18.0 m120 -46.05 139.02 4.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' ILE . 3.9 m120 79.32 -54.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.506 ' CG ' ' N ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER 63.16 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.506 ' N ' ' CG ' ' A' ' 73' ' ' MET . 1.8 pp -131.77 151.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 45.6 mt-30 -120.1 79.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER 38.7 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.98 158.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.84 23.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.42 1.747 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.2 m -60.3 176.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 0.0 110.389 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -177.37 91.69 0.08 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -89.57 166.73 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.94 -172.66 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.76 147.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 m -107.89 173.87 6.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -114.87 164.11 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.99 163.74 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -110.38 177.72 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.442 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -178.49 90.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.58 125.96 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -67.58 169.91 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.472 HD13 ' CG2' ' A' ' 92' ' ' THR . 0.6 OUTLIER -109.96 116.83 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.472 ' CG2' HD13 ' A' ' 91' ' ' LEU . 65.6 p 35.57 -146.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.57 1.168 . . . . 0.0 111.02 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.06 -143.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.69 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.17 128.02 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -149.96 144.47 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m 151.53 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -120.15 -29.86 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.8 OUTLIER -44.2 166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 -68.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.422 HG21 ' CD1' ' A' ' 38' ' ' ILE . 1.0 OUTLIER -103.43 -54.46 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 13' ' ' SER . 12.0 p -132.86 -153.82 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -100.94 -78.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 4.9 m -118.01 -163.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.405 ' O ' ' CB ' ' A' ' 15' ' ' THR . 14.9 mt -104.81 105.06 14.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.49 ' O ' ' CG2' ' A' ' 16' ' ' THR . 5.0 m 76.1 -131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.49 ' CG2' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.72 -1.6 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 2.5 pt20 -155.86 68.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.563 ' HD2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -58.6 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' CD1' HG12 ' A' ' 24' ' ' ILE . 2.5 pt? -92.03 154.56 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 141.5 26.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.412 1.743 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -52.03 -34.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.282 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -64.68 -19.8 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 5.5 mpt_? -98.78 10.06 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.484 HG12 ' CD1' ' A' ' 19' ' ' LEU . 11.1 mt -118.69 152.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -75.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.82 165.32 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.441 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.55 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 8.6 p90 -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.81 119.91 13.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.454 HD11 ' CB ' ' A' ' 37' ' ' VAL . 1.7 mm -102.0 137.03 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -107.7 160.0 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.437 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.18 -19.78 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.86 -171.02 5.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -26.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 0.745 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.9 mt -65.87 -54.74 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.99 54.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.96 157.25 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.467 ' CG2' ' HB1' ' A' ' 49' ' ' ALA . 5.0 m -95.78 124.09 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.422 ' CD1' HG21 ' A' ' 10' ' ' THR . 35.8 mm -100.24 113.14 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -97.73 120.35 37.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.78 139.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 p -98.87 168.84 9.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.34 -16.76 63.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.239 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -17.83 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.2 -0.83 43.87 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 116.47 20.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 0.703 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -105.24 137.56 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -132.4 170.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.4 153.89 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.467 ' HB1' ' CG2' ' A' ' 37' ' ' VAL . . . -153.24 154.89 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.51 129.2 56.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 3.59 5.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.1 -15.26 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.469 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.4 135.7 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -69.9 -41.14 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.563 ' CE3' ' HD2' ' A' ' 18' ' ' ARG . 20.6 p-90 -60.68 -42.01 96.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.522 HG22 ' CE2' ' A' ' 55' ' ' TRP . 36.0 t -58.31 -48.8 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -33.11 74.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.34 82.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.384 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 33.7 m -69.29 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.07 -41.32 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -45.23 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -73.85 -38.59 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.942 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.55 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 46.7 mmm -43.58 -37.71 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 17.8 t0 -57.79 -40.57 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.3 ttm180 -70.19 -39.56 75.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' CA ' ' HE2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.47 -35.98 77.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 t -130.98 49.98 2.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -84.69 -56.6 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -91.27 -42.88 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -29.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -68.98 -59.09 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -91.06 48.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.56 111.69 23.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.48 173.25 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.37 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -141.7 87.87 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.84 79.51 4.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.03 22.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 9.9 t -155.92 -162.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . 88.62 112.84 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -136.78 175.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.435 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.513 ' N ' ' OG1' ' A' ' 81' ' ' THR . 2.3 tp60 -169.78 143.8 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.412 ' HG3' ' N ' ' A' ' 84' ' ' SER . 8.0 tp60 -137.28 144.3 42.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' SER . . . . . 0.412 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER 174.8 155.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -147.33 -164.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -93.77 157.85 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.0 p -127.38 164.27 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.46 99.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 12.8 p -147.08 109.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tp -111.24 129.25 56.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 59.2 p -59.68 174.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 66.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.97 170.63 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.92 178.08 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.78 133.88 36.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 p -129.22 161.65 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 88.29 -22.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.7 -40.65 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.88 -31.82 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.408 HG23 ' CD1' ' A' ' 38' ' ' ILE . 1.1 m -166.81 -44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.432 ' SG ' ' O ' ' A' ' 13' ' ' SER . 7.6 p -141.76 -159.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.9 t -96.83 -83.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -108.72 -163.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 12.0 mt -108.5 105.23 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.266 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.465 ' O ' ' CB ' ' A' ' 16' ' ' THR . 4.9 m 75.47 -130.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.465 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 79.76 18.18 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -176.16 111.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -77.19 81.34 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -72.4 136.96 81.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -51.42 -37.03 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -29.68 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' C ' ' HE3' ' A' ' 42' ' ' LYS . 2.0 mpt_? -88.02 -19.76 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 10.7 mt -94.29 150.19 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -107.25 -77.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.2 t -117.87 172.55 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 9.9 p90 -143.99 155.41 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.95 128.6 36.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.86 135.68 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -108.99 165.99 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.85 -20.28 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.14 -171.3 4.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.385 1.053 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.48 -26.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.08 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -64.07 -59.71 4.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.31 55.12 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.96 156.53 47.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.465 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.3 m -96.54 118.0 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.474 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 21.3 mm -97.0 130.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -109.58 119.3 38.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 5.3 mt -103.76 127.23 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 2.9 p -97.37 164.99 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.35 -30.23 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -20.72 65.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 0.23 55.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.408 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -79.87 112.24 16.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 9.5 ptmt -102.81 137.25 41.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.413 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -131.46 176.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.474 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 2.7 m -119.22 154.49 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.334 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.24 154.51 34.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -84.8 128.92 58.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.447 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 1.05 8.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -81.81 -11.65 58.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.463 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.68 135.84 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -69.36 -40.39 77.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 10.5 p-90 -62.39 -34.22 76.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.478 HG22 ' CE2' ' A' ' 55' ' ' TRP . 38.5 t -67.18 -48.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -44.42 70.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.5 t -66.69 -38.0 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 56' ' ' VAL . 53.7 t -59.5 -39.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -42.66 97.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 65' ' ' ARG . 2.6 t -73.19 -44.62 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.557 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 69.3 mmm -40.56 -41.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -58.11 -46.13 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -27.99 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.94 71.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t -103.54 36.28 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.74 -63.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 12.1 t -107.55 50.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -39.27 -43.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -47.56 -61.55 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -98.82 64.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.91 15.14 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.466 ' O ' ' HG3' ' A' ' 75' ' ' GLN . 0.2 OUTLIER -112.59 -36.1 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.56 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER 36.51 46.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.7 m -42.97 165.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 110.408 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.56 128.62 12.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 162.91 36.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -106.37 -161.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.37 -113.68 2.79 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.462 1.102 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 m -151.48 168.32 25.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.8 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.47 162.71 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 165.85 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 98.2 m -137.96 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -149.56 159.82 43.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.2 p -131.49 -178.86 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.79 115.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.42 123.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 35.1 m -115.25 152.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -42.56 162.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 28.1 p -65.7 178.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.447 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.59 1.181 . . . . 0.0 110.951 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.86 140.27 11.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -158.1 -65.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 3' ' ' SER . 5.1 pt-20 -32.55 105.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 6' ' ' SER . 2.5 p -145.4 158.71 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.92 -14.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.08 -31.07 10.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.442 ' CE ' HG22 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -64.08 166.59 7.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -64.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.469 HG23 ' CD1' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -105.22 -76.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 4.8 p -179.26 -171.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.477 ' CG2' ' N ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -81.78 -90.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.477 ' N ' ' CG2' ' A' ' 12' ' ' VAL . 0.1 OUTLIER -105.62 -162.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.056 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.421 ' O ' ' C ' ' A' ' 15' ' ' THR . 62.6 mt -105.58 149.92 25.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.523 ' O ' ' CB ' ' A' ' 16' ' ' THR . 0.9 OUTLIER 36.88 -138.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.523 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.72 -7.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.434 ' O ' ' N ' ' A' ' 19' ' ' LEU . 5.0 pt20 -142.61 82.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 59.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.599 ' CD1' ' CG2' ' A' ' 41' ' ' THR . 1.3 pt? -63.29 151.97 85.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.38 20.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.465 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.76 -36.15 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -24.72 64.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.44 -18.81 27.51 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.473 HG12 ' CD1' ' A' ' 19' ' ' LEU . 10.6 mt -87.33 148.99 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.621 1.201 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -104.39 -75.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.402 ' CA ' ' HE3' ' A' ' 63' ' ' MET . 1.1 t -122.04 166.51 14.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 16.0 p90 -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.16 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.5 mt -111.85 137.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.3 p -111.19 163.56 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -20.12 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.213 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -66.69 -172.2 4.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -42.06 -27.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -64.68 -57.04 10.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.98 52.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.9 156.57 47.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.482 ' CG2' ' O ' ' A' ' 49' ' ' ALA . 33.3 m -96.13 133.19 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 10' ' ' THR . 11.9 mm -107.84 132.11 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 25.8 m-85 -115.45 117.72 31.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mt -106.13 128.36 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.599 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -94.0 165.29 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -23.49 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.72 -0.83 39.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.499 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -80.54 126.07 30.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 0.725 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 9.5 ptmt -111.96 137.52 49.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -129.76 172.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.465 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 3.8 m -120.62 138.63 53.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.482 ' O ' ' CG2' ' A' ' 37' ' ' VAL . . . -136.29 152.61 50.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 132.76 51.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 1.77 7.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -12.84 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.401 ' HB3' ' CD1' ' A' ' 55' ' ' TRP . . . -87.33 134.2 33.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.4 m -70.03 -40.94 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.449 ' CE2' HG21 ' A' ' 56' ' ' VAL . 22.2 p-90 -59.76 -42.67 93.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 108.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.449 HG21 ' CE2' ' A' ' 55' ' ' TRP . 23.4 t -57.78 -48.74 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -67.66 -33.04 74.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -46.59 80.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.4 ' HB ' ' CG2' ' A' ' 21' ' ' VAL . 33.9 m -69.5 -36.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 3.2 t -59.11 -40.31 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -46.1 91.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -73.16 -37.5 66.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.472 ' SD ' ' CG2' ' A' ' 24' ' ' ILE . 0.0 OUTLIER -44.63 -46.99 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 5.1 t0 -69.79 -31.83 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -70.37 -48.73 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -71.65 -25.33 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -124.1 46.72 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -73.18 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.442 ' O ' ' CG2' ' A' ' 69' ' ' THR . 1.6 m -144.11 64.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.444 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -40.83 -39.83 1.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -40.99 -53.97 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -54.14 -55.28 29.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.412 ' CE ' HG22 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 70.91 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.412 HG22 ' CE ' ' A' ' 73' ' ' MET . 2.8 pp -150.57 175.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.96 62.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -135.47 179.27 6.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 150.85 37.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.68 26.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -150.2 161.72 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.59 -113.03 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 29.7 m -155.34 176.55 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.434 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -55.54 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -128.2 151.88 48.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.5 p -179.73 164.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 86' ' ' ASN . 32.6 m -122.62 171.06 9.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.411 ' N ' HG22 ' A' ' 85' ' ' THR . 5.1 p30 -88.71 168.72 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.0 p -100.38 175.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.28 99.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.95 123.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' THR . . . . . 0.411 HG22 ' N ' ' A' ' 91' ' ' LEU . 62.0 m -119.37 150.94 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 92' ' ' THR . 0.9 OUTLIER -107.07 158.27 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.501 ' CG2' ' O ' ' A' ' 91' ' ' LEU . 8.9 t 47.41 -173.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . 0.436 ' N ' ' OG1' ' A' ' 92' ' ' THR . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.66 154.05 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.73 178.68 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 0.83 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.3 150.59 25.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' SER . 69.4 t -146.49 144.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.51 -13.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' LYS . 64.4 m-20 -120.26 -42.9 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 39.28 -154.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -54.84 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.452 ' CG2' HD12 ' A' ' 38' ' ' ILE . 8.6 m -111.32 -76.11 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER 179.53 -161.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 63.5 t -100.67 -83.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 24.6 p -109.31 -164.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 14' ' ' LEU . 4.4 pp -114.44 106.98 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.6 m 83.74 -136.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 83.52 -8.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.452 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.466 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 3.9 pt20 -152.56 100.57 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.565 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 1.1 ttm180 -81.87 117.06 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -115.84 160.06 36.6 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 136.38 20.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.475 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.35 -35.53 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -58.39 -35.7 72.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -21.82 57.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.475 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 4.5 mt -87.93 149.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -131.51 168.76 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.475 ' CE1' ' HB3' ' A' ' 63' ' ' MET . 9.0 p90 -144.06 156.14 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.82 121.72 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.43 HG12 ' CB ' ' A' ' 37' ' ' VAL . 57.2 mt -100.84 137.24 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.418 ' N ' HG21 ' A' ' 29' ' ' ILE . 1.7 p -107.07 160.48 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.35 -20.31 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.81 -173.03 8.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.145 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -39.46 -29.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.942 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.2 mt -63.96 -55.4 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.3 ttt-85 37.71 53.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.06 156.28 48.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.461 ' CG2' ' HB2' ' A' ' 49' ' ' ALA . 2.1 m -96.54 127.07 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.452 HD12 ' CG2' ' A' ' 10' ' ' THR . 5.2 mm -98.77 130.38 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.417 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 6.1 m-85 -110.68 116.73 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -104.15 130.57 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.0 p -99.04 167.17 10.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -34.64 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -23.47 66.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.56 0.0 42.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.45 116.39 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.417 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 2.3 ptpt -104.84 136.68 43.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.421 HG23 ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -132.54 168.66 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 7.9 m -108.32 156.94 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . . . -153.63 155.57 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -85.07 130.73 51.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 1.28 7.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.81 -16.32 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.37 132.09 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.87 -42.59 73.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.565 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 30.9 p-90 -59.71 -43.99 93.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 HG23 ' CZ2' ' A' ' 55' ' ' TRP . 16.3 t -58.03 -48.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -33.52 74.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.18 -46.47 83.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.438 HG21 ' N ' ' A' ' 60' ' ' VAL . 20.4 m -69.48 -36.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.438 ' N ' HG21 ' A' ' 59' ' ' VAL . 34.7 t -59.24 -40.59 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.56 89.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.39 -39.81 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.475 ' HG2' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -43.34 -42.42 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.469 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 1.2 t0 -58.37 -40.88 83.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.9 ttt180 -71.29 -43.82 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -35.95 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -123.52 46.87 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 0.0 110.049 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.2 t-20 -73.51 -61.32 1.87 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 m -96.1 19.41 11.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -124.07 -0.53 8.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' O ' ' O ' ' A' ' 70' ' ' ARG . 8.0 t-20 -58.99 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ILE . 29.5 m120 -70.75 56.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.508 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 1.0 OUTLIER 63.39 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -134.7 138.47 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.1 58.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.6 p 40.2 -161.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 118.46 4.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 146.73 32.95 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 10.2 t -74.4 -165.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . -138.52 -115.74 1.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.4 m -140.56 177.1 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.741 . . . . 0.0 110.439 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.1 tt0 -134.69 137.31 43.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.1 162.95 16.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 170.52 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 86' ' ' ASN . 2.2 t -139.76 177.36 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' N ' ' OG1' ' A' ' 85' ' ' THR . 3.1 t-20 -160.72 163.39 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.6 p -146.26 177.03 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.16 108.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.4 p -161.02 119.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 25.7 m -103.56 152.65 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 110.375 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -42.56 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.379 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -105.04 171.09 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 19.5 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -116.67 -150.06 9.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.48 128.27 35.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.1 63.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -22.7 42.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.455 ' OD2' ' CG2' ' A' ' 28' ' ' THR . 6.6 m-20 -80.45 -31.17 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -132.01 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.462 ' CG2' ' SG ' ' A' ' 48' ' ' CYS . 26.6 m -159.78 -101.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 18.1 p -179.53 -146.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -88.55 -84.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -118.31 -163.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 15' ' ' THR . 12.6 mt -114.63 95.04 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.3 m 77.94 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 82.22 -5.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.417 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -142.1 87.93 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NE ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -69.26 60.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.059 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' CD1' HG22 ' A' ' 41' ' ' THR . 2.2 pt? -57.8 155.47 22.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.16 30.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.534 1.807 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.494 ' CG2' HG21 ' A' ' 59' ' ' VAL . 59.6 t -59.4 -29.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -39.25 87.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.6 1.188 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -85.0 0.68 50.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.429 HG12 ' CD1' ' A' ' 19' ' ' LEU . 96.5 mt -100.52 144.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 26' ' ' THR . 12.6 tppt? -96.85 -87.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.473 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 14.8 t -127.55 -176.79 3.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.555 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 9.0 p90 -144.12 160.69 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.455 ' CG2' ' OD2' ' A' ' 7' ' ' ASP . 0.8 OUTLIER -142.31 126.19 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.491 ' CD1' HG12 ' A' ' 37' ' ' VAL . 27.5 mt -109.44 137.31 42.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.57 1.169 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 p -109.01 164.47 12.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -19.04 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -69.18 -173.29 9.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' GLY . 93.6 p -39.49 -29.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 0.719 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.1 mt -62.76 -56.43 17.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.11 46.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.78 158.04 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.491 HG12 ' CD1' ' A' ' 29' ' ' ILE . 34.2 m -94.87 132.6 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.413 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 15.7 mm -107.27 124.84 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.579 ' CZ ' HG12 ' A' ' 59' ' ' VAL . 1.4 m-85 -106.58 117.43 34.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.484 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 2.0 mt -95.8 142.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.475 HG22 ' CD1' ' A' ' 19' ' ' LEU . 12.8 p -99.49 170.79 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -63.89 -39.66 94.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -22.67 58.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.26 40.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.72 126.38 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.484 ' HE2' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -92.44 127.62 37.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.8 170.69 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.462 ' SG ' ' CG2' ' A' ' 10' ' ' THR . 5.1 m -121.7 150.63 41.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.476 ' O ' ' CG2' ' A' ' 37' ' ' VAL . . . -153.39 146.5 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.63 137.25 44.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.81 6.23 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -13.23 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 129.45 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -70.23 -39.7 74.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.59 ' CE3' ' NE ' ' A' ' 18' ' ' ARG . 7.6 p-90 -59.77 -42.91 94.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.486 HG23 ' CE2' ' A' ' 55' ' ' TRP . 19.7 t -63.7 -47.73 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 37.3 mtm180 -63.44 -34.56 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -44.11 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.579 HG12 ' CZ ' ' A' ' 39' ' ' PHE . 35.7 t -65.49 -36.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 53.7 t -58.75 -40.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.195 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -47.46 85.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -73.79 -39.54 64.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.555 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -40.5 -41.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 4.5 t70 -57.88 -46.33 85.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 mtt-85 -71.4 -44.9 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.58 1.175 . . . . 0.0 110.25 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.29 74.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.53 39.32 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.2 m-20 -69.55 -48.61 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.3 m -140.6 73.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.429 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -167.03 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -40.11 -60.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -53.43 -50.26 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.9 -70.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.35 -179.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -135.12 79.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -100.5 157.4 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 113.9 8.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.58 32.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 92.2 m -114.57 174.04 6.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.368 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -165.35 72.62 0.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m -97.04 164.88 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 175.52 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.98 162.09 34.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.62 155.94 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.3 m -127.23 167.53 15.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -142.26 160.87 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -131.49 -179.92 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.08 85.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.94 127.0 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -127.99 151.8 48.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -109.8 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 t -126.55 1.66 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 179.958 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 152.71 143.8 3.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.5 OUTLIER 164.17 -28.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' SER . 0.0 OUTLIER 53.5 171.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 25.5 t -140.76 78.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -14.74 15.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.85 -45.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.9 pttp 44.94 -166.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -128.16 -67.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.428 ' CG2' HD13 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -159.72 -44.16 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 110.474 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.2 p -128.18 -150.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -101.76 -77.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m -118.22 -162.54 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 14.6 mt -108.69 104.18 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 10.1 m 70.9 -127.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.497 ' O ' ' CG2' ' A' ' 16' ' ' THR . 0.6 OUTLIER 75.43 22.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -175.12 110.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 93.86 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.78 135.65 35.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.478 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.19 -31.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.95 75.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -6.18 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 18.5 mt -99.0 139.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.24 -75.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.13 176.44 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.574 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 5.5 p90 -144.16 157.76 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.79 120.47 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -110.93 134.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 7.2 p -112.32 172.44 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.452 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -24.73 5.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -166.17 0.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' ARG . 2.9 mt -68.33 -57.14 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.197 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 tpt85 37.16 35.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.253 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 156.83 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.476 HG23 ' CG1' ' A' ' 56' ' ' VAL . 1.4 m -96.52 126.08 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.428 HD13 ' CG2' ' A' ' 10' ' ' THR . 10.1 mm -97.24 131.96 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.427 ' CE1' HG11 ' A' ' 56' ' ' VAL . 4.7 m-85 -114.14 117.82 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 3.4 mt -101.55 135.05 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 p -99.18 167.26 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' NZ ' ' HG2' ' A' ' 25' ' ' LYS . 60.2 mmtt -57.05 -50.26 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -21.3 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 10.08 35.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.431 ' C ' ' CD1' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -80.84 123.15 28.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.421 ' N ' HD11 ' A' ' 45' ' ' LEU . 9.2 ptmt -107.73 136.92 46.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -133.57 175.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.4 m -116.15 152.99 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -153.06 154.84 35.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.208 . . . . 0.0 109.269 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 135.73 40.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.17 6.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -13.3 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.22 128.83 33.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -70.08 -44.61 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.52 ' CE2' HG21 ' A' ' 56' ' ' VAL . 16.0 p-90 -59.86 -44.09 94.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.52 HG21 ' CE2' ' A' ' 55' ' ' TRP . 63.8 t -57.58 -48.31 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -67.25 -33.1 74.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -46.87 78.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 34.1 m -69.88 -36.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.501 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.6 t -58.08 -40.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.67 84.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -34.53 63.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.94 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.574 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -48.26 -42.55 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.486 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 1.7 t70 -70.49 -31.77 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -48.71 62.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.82 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -116.59 43.49 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.486 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -79.42 -63.66 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.436 ' CG2' ' O ' ' A' ' 69' ' ' THR . 7.3 m -151.67 45.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.543 ' NE ' ' H ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -40.08 -59.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.543 ' H ' ' NE ' ' A' ' 70' ' ' ARG . 4.4 t-20 67.98 -69.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ARG . 81.6 m-20 -74.59 -66.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.88 170.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.85 169.19 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.49 66.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -48.17 127.43 12.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.19 119.67 27.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.65 19.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.421 1.748 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -101.59 160.73 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.29 -103.23 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 21.0 m -145.83 175.41 10.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 110.428 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -135.48 151.74 50.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 110.284 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.2 162.54 39.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.7 p -171.47 157.75 4.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.9 t -148.57 -163.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t30 178.51 167.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.6 p -127.12 168.23 14.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.95 100.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 10.8 p -144.23 120.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.614 1.196 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -127.52 154.11 45.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.41 HD11 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -104.66 131.32 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' THR . . . . . 0.41 ' N ' HD11 ' A' ' 91' ' ' LEU . 1.3 t -77.03 155.07 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.83 155.59 53.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.15 -179.85 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.55 163.22 0.68 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 67.9 t -137.34 58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -25.19 67.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.8 m-20 -78.82 -42.14 28.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 38.88 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' ASP . 3.4 tpt180 -54.57 -66.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.568 ' CG2' ' CD1' ' A' ' 38' ' ' ILE . 84.8 m -37.64 -52.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 p -178.4 -148.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -68.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.198 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -118.13 -163.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 10.7 mt -113.45 100.22 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 6.1 m 73.16 -129.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER 74.83 2.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.6 pt20 -149.73 87.66 1.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.576 ' HG2' ' CZ2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -60.82 81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -75.34 146.52 81.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.476 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 131.28 14.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.476 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 0.4 OUTLIER -51.6 -38.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.44 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 1.2 t -57.09 -42.69 81.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.04 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.476 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 7.6 mmt-85 -74.99 -5.32 43.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 14.1 mt -102.34 147.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.427 ' N ' HG21 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -103.93 -75.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.42 ' CG2' HD13 ' A' ' 40' ' ' ILE . 5.4 t -125.29 173.3 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' CE2' HG12 ' A' ' 60' ' ' VAL . 8.2 p90 -144.26 157.45 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -134.73 119.77 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 17.4 mt -102.72 137.94 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 16.7 p -115.57 161.09 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -119.92 -23.07 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -64.73 -169.32 1.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -41.23 -28.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 0.733 . . . . 0.0 110.032 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.8 mt -65.39 -55.9 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' NE ' ' OE2' ' A' ' 31' ' ' GLU . 0.4 OUTLIER 37.06 49.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.35 157.49 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.45 ' O ' HG22 ' A' ' 37' ' ' VAL . 28.4 m -95.38 132.79 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.568 ' CD1' ' CG2' ' A' ' 10' ' ' THR . 3.3 mm -105.0 133.07 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -116.62 117.3 29.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.979 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.453 ' CD1' ' HD2' ' A' ' 46' ' ' LYS . 9.5 mt -102.37 130.68 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -98.83 165.29 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.44 ' NZ ' ' O ' ' A' ' 22' ' ' SER . 0.0 OUTLIER -60.52 -30.24 69.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -21.51 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.02 1.59 48.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.58 128.46 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.453 ' HD2' ' CD1' ' A' ' 40' ' ' ILE . 1.2 mtmm -112.09 137.24 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -131.71 171.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.0 m -119.13 152.49 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 108.252 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.436 ' O ' ' CG2' ' A' ' 37' ' ' VAL . . . -153.21 155.12 36.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.41 132.66 55.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 2.22 6.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.581 1.832 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.51 -13.74 57.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -82.22 127.83 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 58' ' ' ASP . 2.3 m -69.75 -42.32 74.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.576 ' CZ2' ' HG2' ' A' ' 18' ' ' ARG . 8.0 p-90 -59.97 -38.91 83.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.508 ' O ' ' CG2' ' A' ' 60' ' ' VAL . 75.3 t -64.68 -48.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 2.3 mtp-105 -67.29 -33.57 75.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 5.3 t70 -63.92 -46.03 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 31.2 m -70.58 -34.13 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.538 HG12 ' CE2' ' A' ' 27' ' ' TYR . 47.7 t -56.35 -41.73 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . 0.597 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.39 -31.72 69.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.597 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 1.3 t -75.54 -41.03 56.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.424 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 81.6 mmm -39.94 -46.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -58.23 -45.87 86.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.36 -34.04 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.53 -36.01 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -108.47 38.76 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 -63.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -48.73 -31.45 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -50.18 -24.57 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ARG . 3.7 m-20 -40.27 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 74' ' ' ILE . 20.2 m120 -131.33 13.28 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.487 ' CG ' ' C ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER 38.72 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.981 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.7 pt -143.36 170.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.86 80.66 1.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.1 p -44.21 143.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.12 161.49 52.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.64 42.2 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.541 1.811 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -42.41 163.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.24 95.75 0.91 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 7.1 m -104.8 177.04 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 110.435 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -93.22 164.5 13.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.38 156.47 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.1 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.5 p -70.97 120.66 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -63.37 161.87 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -85.66 171.59 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -168.54 83.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.42 122.25 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -139.47 152.13 46.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tp -105.74 135.36 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.298 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 9.1 p -95.81 167.66 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 0.0 111.057 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.09 140.13 2.29 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER 175.58 178.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.494 ' O ' ' CG2' ' A' ' 5' ' ' VAL . 1.4 tt0 36.96 31.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 4' ' ' GLU . 71.4 t -157.6 150.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.17 -12.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.032 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.88 -15.21 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -169.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.13 -69.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -116.14 -51.72 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 2.4 p -129.59 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.272 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.554 ' CG2' ' N ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -107.98 -95.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.554 ' N ' ' CG2' ' A' ' 12' ' ' VAL . 0.4 OUTLIER -95.79 -164.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.442 ' O ' ' CB ' ' A' ' 15' ' ' THR . 8.6 mt -106.08 103.68 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.486 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.2 m 78.41 -138.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.486 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.75 -5.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.93 75.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.572 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -66.99 74.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD1' HG12 ' A' ' 24' ' ' ILE . 2.6 pt? -76.75 154.5 83.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 135.77 19.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.489 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 1.5 p -51.14 -38.12 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -57.13 -27.95 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.427 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -88.35 -12.24 43.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.474 HG12 ' CD1' ' A' ' 19' ' ' LEU . 10.1 mt -96.33 150.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -103.42 -85.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.425 ' CA ' ' HE2' ' A' ' 63' ' ' MET . 6.4 t -116.78 170.94 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 13.1 p90 -143.44 161.16 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.0 119.89 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -104.32 137.19 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -109.31 163.04 13.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -20.58 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.52 -172.35 11.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 m -39.13 -30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -61.81 -59.12 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.9 ttt180 37.21 55.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.37 156.33 48.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.536 HG23 ' CE2' ' A' ' 39' ' ' PHE . 1.5 m -96.53 122.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . . . . . . . . . 19.1 mm -97.22 131.85 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.536 ' CE2' HG23 ' A' ' 37' ' ' VAL . 26.3 m-85 -118.35 117.58 29.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mt -103.67 127.29 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 4.6 p -95.73 165.73 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.427 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.4 mtmp? -59.1 -37.14 76.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.31 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.04 3.41 54.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.181 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.411 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.86 122.05 26.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.6 ptmt -108.79 136.88 47.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -133.43 169.22 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.243 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 13' ' ' SER . 20.0 p -120.44 140.86 50.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -137.77 155.28 49.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.424 ' N ' HD21 ' A' ' 14' ' ' LEU . 2.9 m-20 -82.42 134.56 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 3.38 5.68 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -16.1 53.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB2' ' CG2' ' A' ' 56' ' ' VAL . . . -83.15 132.27 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -70.7 -39.9 73.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.572 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 22.9 p-90 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.514 HG22 ' CE2' ' A' ' 55' ' ' TRP . 53.7 t -57.86 -47.66 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.18 76.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 22.7 m -70.6 -35.99 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 11.7 t -58.01 -40.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -47.06 86.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -73.88 -37.59 64.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.564 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -43.0 -35.66 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.74 -42.75 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . 2.6 mtm180 -69.33 -42.27 75.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -36.22 83.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.33 35.37 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -53.1 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -111.51 57.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.25 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -48.85 -61.89 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -61.25 -54.38 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 51.7 82.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -131.14 155.83 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.063 . . . . 0.0 109.305 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -153.39 74.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 6.0 t -152.26 80.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.39 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -41.19 158.38 0.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.28 41.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -122.18 164.69 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.79 97.03 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 32.6 m -97.55 175.68 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.406 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.0 tt0 -155.21 167.96 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -94.14 153.45 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.8 t -137.56 164.07 29.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.7 t -69.53 -163.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.384 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -160.87 152.11 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.5 p -141.14 -177.69 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -165.47 68.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.5 p -144.78 106.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.6 t -78.52 156.4 29.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.95 160.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.8 p -64.73 172.8 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.093 . . . . 0.0 110.959 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.99 -153.9 12.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.78 177.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.17 127.09 38.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.221 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 78.6 t -134.74 83.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -10.66 12.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -124.3 -43.51 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.8 ptpp? 46.64 -162.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -126.16 -68.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -129.21 -42.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 p -136.22 -167.29 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 108.257 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.61 -76.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -112.63 -164.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.956 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -109.07 104.28 13.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.555 ' O ' ' CG2' ' A' ' 16' ' ' THR . 16.3 m 69.61 -120.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.555 ' CG2' ' O ' ' A' ' 15' ' ' THR . 2.0 t 62.53 24.86 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -175.85 105.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.559 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.4 OUTLIER -81.07 82.54 6.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.26 143.88 91.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.229 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.41 14.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.473 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -51.5 -36.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -56.85 -24.75 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -17.08 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.465 HG22 ' CE ' ' A' ' 63' ' ' MET . 5.6 mt -92.59 152.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -72.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.447 ' CG2' ' HB ' ' A' ' 40' ' ' ILE . 12.1 t -119.18 166.89 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.426 ' CD1' ' N ' ' A' ' 27' ' ' TYR . 9.8 p90 -143.92 150.66 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.065 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -133.52 120.31 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.449 HD12 ' CB ' ' A' ' 37' ' ' VAL . 2.4 mm -106.3 137.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.405 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 70.2 p -117.2 161.24 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.44 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.59 -19.67 6.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -68.43 -168.31 4.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 4.6 m -38.92 -31.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.6 mt -65.78 -55.18 18.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 36.56 47.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.47 157.11 47.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.449 ' CB ' HD12 ' A' ' 29' ' ' ILE . 25.5 m -95.86 132.28 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.485 HD11 ' CB ' ' A' ' 48' ' ' CYS . 24.1 mm -111.26 120.65 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.406 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 17.2 m-85 -106.27 116.74 32.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.447 ' HB ' ' CG2' ' A' ' 26' ' ' THR . 7.5 mt -100.99 129.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 1.3 p -99.1 165.03 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -17.01 61.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 -18.29 48.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.93 -1.07 59.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 1.0 OUTLIER -81.65 111.39 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.967 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 4.8 ptpt -101.92 137.5 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.95 153.99 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.485 ' CB ' HD11 ' A' ' 38' ' ' ILE . 10.1 p -106.82 139.8 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -140.51 155.45 46.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.92 131.22 60.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 3.8 5.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -12.35 59.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -84.9 132.72 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.04 -37.98 81.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.559 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 6.6 p-90 -62.46 -35.28 78.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.504 HG22 ' CE2' ' A' ' 55' ' ' TRP . 43.0 t -67.48 -48.06 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -64.77 -33.3 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -44.32 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.7 t -65.64 -37.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.8 -40.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -46.06 92.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.6 t -73.04 -42.95 62.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.473 ' HG2' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -40.85 -36.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -61.12 -47.03 88.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.33 -30.16 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.175 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -36.16 83.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -124.54 47.77 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -96.65 -52.57 3.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 73' ' ' MET . 1.1 t -46.99 -24.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.351 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.82 68.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASN . 5.2 m-20 -55.39 110.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 73' ' ' MET . 60.0 m-80 39.39 48.57 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.675 ' O ' ' CG2' ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.78 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.675 ' CG2' ' O ' ' A' ' 73' ' ' MET . 0.7 OUTLIER 170.02 163.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 2.8 pt20 -95.64 75.37 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 t -46.26 132.15 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -145.37 130.84 9.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 141.27 26.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.9 p -55.59 174.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.34 -104.71 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 8.8 t -132.73 -139.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.451 ' N ' ' OG1' ' A' ' 81' ' ' THR . 2.0 tt0 -163.96 171.03 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.69 161.24 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -159.29 153.09 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -111.51 -163.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -168.66 163.85 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 78.9 p -124.75 166.44 16.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.418 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 179.55 98.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.9 p -133.01 121.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -106.43 150.66 25.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tp -101.96 127.36 48.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 t -44.54 144.4 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 48.24 -160.97 0.52 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.562 1.164 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -133.5 178.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.75 156.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' SER . 32.2 t -147.34 156.83 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 86.39 -17.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.018 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -102.84 -17.4 15.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -71.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.414 ' NH1' HD12 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.08 -72.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.478 ' CG2' HD13 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -167.75 -42.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' SER . 14.3 p -130.71 -157.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.72 -80.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.52 -163.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.1 mt -107.5 105.0 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 8.0 m 72.58 -125.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.484 ' O ' ' CG2' ' A' ' 16' ' ' THR . 0.5 OUTLIER 70.3 19.77 6.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -173.16 111.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.555 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.0 85.8 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 138.66 73.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.86 10.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.522 HG12 ' N ' ' A' ' 22' ' ' SER . 6.1 p -52.01 -32.42 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.522 ' N ' HG12 ' A' ' 21' ' ' VAL . 0.0 OUTLIER -59.77 -22.88 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.26 -19.93 16.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.468 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 10.3 mt -82.6 145.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.47 ' CG ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -96.93 -72.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -131.6 -178.4 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.6 p90 -144.15 153.7 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.18 124.29 24.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.43 137.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.9 p -107.54 163.43 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -117.1 -18.21 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.61 -167.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 p -64.21 -10.19 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 0.703 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.414 HD12 ' NH1' ' A' ' 9' ' ' ARG . 1.2 tp -82.79 -52.43 6.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.7 ttp180 38.09 76.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.33 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 51' ' ' PRO . 3.0 m -96.63 117.46 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.478 HD13 ' CG2' ' A' ' 10' ' ' THR . 15.8 mm -96.18 132.64 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.461 ' CE2' HG23 ' A' ' 37' ' ' VAL . 45.2 m-85 -112.73 118.73 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 mt -101.18 132.91 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 9.6 p -98.95 167.04 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HD3' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -56.05 -47.41 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -21.82 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.76 5.99 47.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.84 121.73 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.456 ' HE2' ' CG2' ' A' ' 38' ' ' ILE . 5.2 ptmt -106.6 136.85 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.217 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 4.2 p -126.67 176.1 7.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -121.43 151.4 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 108.277 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.449 ' HB2' ' CG2' ' A' ' 37' ' ' VAL . . . -152.82 154.64 35.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 130.67 50.95 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.474 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -16.2 52.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.59 131.72 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.99 -38.78 76.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.435 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.555 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.4 p-90 -59.96 -39.54 85.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.513 HG21 ' CE2' ' A' ' 55' ' ' TRP . 24.9 t -67.97 -48.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -61.39 -33.72 74.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.62 -44.07 71.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.434 HG23 ' CE3' ' A' ' 55' ' ' TRP . 2.4 t -66.36 -36.92 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 74.2 t -58.94 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -44.44 87.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' ARG . 2.0 t -73.35 -43.53 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' MET . . . . . . . . . . . . . 62.5 mmm -41.4 -33.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.05 -46.96 86.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.43 -29.06 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.12 82.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 t -115.49 41.37 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.9 -52.65 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -87.07 -38.3 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.412 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -49.97 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 31.9 t-20 -40.22 147.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 2.1 t-20 77.88 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.497 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 4.4 tpt 36.51 92.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' N ' HD12 ' A' ' 74' ' ' ILE . 0.2 OUTLIER -122.33 -172.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 37.86 58.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 t -39.0 136.13 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -61.67 155.64 59.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 142.76 27.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 94.7 m -71.67 174.05 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -94.14 -112.84 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 9.3 t -161.58 -148.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.455 ' N ' ' OG1' ' A' ' 81' ' ' THR . 1.3 tt0 -167.82 168.71 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -139.76 161.03 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.54 170.17 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.9 m -140.81 166.96 23.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.58 153.18 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.8 p -135.55 -179.88 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.6 109.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.8 p -159.56 120.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.2 m -121.65 152.5 39.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.361 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -42.96 161.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.6 p -66.0 178.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.372 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.31 -139.19 14.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.16 -167.66 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 0.763 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.94 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.551 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.4 OUTLIER 70.49 -179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.551 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.4 OUTLIER 89.24 -24.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.595 1.185 . . . . 0.0 109.954 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -108.53 -36.66 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt 64.32 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.238 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tpt180 -129.9 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.24 -49.74 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -109.65 -174.35 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 108.255 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.69 -76.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.66 -163.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.4 mt -106.51 102.18 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.468 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.2 m 70.7 -136.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.468 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 80.76 -4.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -140.12 85.89 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -64.62 86.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.229 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.4 mp -82.15 141.01 46.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 131.19 14.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -52.33 -25.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -64.66 -29.72 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -25.73 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.456 ' CG2' ' HE2' ' A' ' 63' ' ' MET . 12.5 mt -82.61 145.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.68 -77.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.3 t -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 16.9 p90 -142.99 161.28 38.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.72 124.54 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.5 mt -110.7 137.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 38.0 p -101.75 165.87 10.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.18 -20.39 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.02 -166.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -10.56 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.437 ' CD1' ' HB1' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -82.45 -52.3 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 34' ' ' LEU . 27.5 ttt180 37.82 62.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.437 ' HB1' ' CD1' ' A' ' 34' ' ' LEU . . . -121.56 156.47 32.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.429 ' O ' ' CG2' ' A' ' 37' ' ' VAL . 1.1 m -96.6 119.66 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.433 HD13 ' CB ' ' A' ' 48' ' ' CYS . 15.9 mm -98.65 132.56 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -116.94 117.87 30.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -100.04 129.31 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 1.2 p -99.44 166.58 11.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -25.05 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.389 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -19.86 61.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -0.41 57.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -81.14 110.86 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.12 130.59 45.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -124.77 156.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.233 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.433 ' CB ' HD13 ' A' ' 38' ' ' ILE . 10.6 p -104.9 151.21 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -148.68 154.35 39.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -81.85 131.06 58.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.758 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -7.76 59.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.18 127.2 35.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -67.29 -39.31 85.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.517 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 4.6 p-90 -62.18 -35.74 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.0 t -68.2 -47.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -36.38 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.12 -44.28 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.62 -36.27 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 92.5 t -58.73 -40.88 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.88 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -33.36 67.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.593 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 18.9 tpp -62.05 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 63' ' ' MET . 4.0 t0 -56.41 -31.47 63.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -26.75 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -36.44 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t -113.86 41.34 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.7 t -51.06 -38.49 51.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -60.52 -54.4 45.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.5 m120 -39.34 150.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.7 m-20 81.62 -55.55 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.247 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 1.1 tpt 58.7 138.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.456 ' N ' ' HG3' ' A' ' 73' ' ' MET . 0.2 OUTLIER -133.18 -165.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -119.22 62.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.6 m 51.38 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -45.91 158.22 0.37 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 8.9 t -167.75 -163.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . -108.1 65.06 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 0.1 OUTLIER -46.18 172.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' N ' ' OG1' ' A' ' 81' ' ' THR . 3.6 mt-30 -132.07 144.7 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -166.89 152.57 7.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 p -169.9 170.09 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 8.4 t -171.82 -162.75 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.371 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 t-20 174.49 167.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 18.0 p -154.17 179.46 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.36 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.3 p -145.2 109.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 m -146.78 156.46 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.4 tp -112.75 135.09 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 43.8 p -53.96 147.75 11.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.38 171.6 14.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.78 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 172.83 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.466 ' CG2' ' HA ' ' A' ' 8' ' ' LYS . 7.1 p 40.55 58.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.84 39.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.88 -50.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.466 ' HA ' ' CG2' ' A' ' 5' ' ' VAL . 4.1 ptpp? -172.94 -163.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.46 -68.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.3 m -112.95 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.415 ' SG ' ' O ' ' A' ' 13' ' ' SER . 7.7 p -128.53 -158.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.35 -84.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -112.27 -163.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.422 HD23 ' CA ' ' A' ' 49' ' ' ALA . 7.8 mt -106.05 104.91 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.509 ' O ' ' CB ' ' A' ' 16' ' ' THR . 3.6 m 71.73 -131.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.509 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.22 12.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.365 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 179.97 106.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 3.2 ttm105 -63.05 84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.486 ' CD1' ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm? -53.64 142.4 42.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HD2' ' CD1' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.92 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.477 ' HA ' ' CD1' ' A' ' 24' ' ' ILE . 69.6 t -51.05 -38.76 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -17.17 7.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.443 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -107.84 -15.51 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.477 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -84.27 142.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -78.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -122.74 175.64 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' ' 63' ' ' MET . 5.6 p90 -144.39 159.79 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -136.42 120.1 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -101.73 133.56 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -97.09 160.5 14.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.21 -20.46 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.69 -172.6 16.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.38 -28.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -63.38 -56.71 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.05 62.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.77 155.95 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 51' ' ' PRO . 1.8 m -97.09 118.31 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.42 ' O ' ' N ' ' A' ' 28' ' ' THR . 18.1 mm -96.85 131.49 43.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -112.18 119.63 39.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.984 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.478 HG12 ' CG ' ' A' ' 46' ' ' LYS . 2.9 mt -98.14 127.41 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -99.82 164.91 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.41 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -18.59 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.13 8.97 64.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.427 HD13 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -80.41 118.71 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.72 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.478 ' CG ' HG12 ' A' ' 40' ' ' ILE . 3.1 mtpt -92.33 124.55 36.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.408 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -118.11 171.5 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.92 144.08 50.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.227 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.422 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -143.46 154.2 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -85.68 130.5 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.46 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.03 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -7.85 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -88.32 127.56 35.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.601 1.188 . . . . 0.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -70.18 -38.4 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.552 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 4.7 p-90 -60.28 -32.8 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.51 HG21 ' CE2' ' A' ' 55' ' ' TRP . 63.9 t -65.28 -47.82 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -35.13 77.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -43.78 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.421 HG23 ' CG2' ' A' ' 21' ' ' VAL . 1.0 OUTLIER -63.04 -36.1 74.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 26.4 t -57.27 -40.89 76.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.86 93.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -34.91 64.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -73.54 -48.49 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' N ' ' CG ' ' A' ' 63' ' ' MET . 28.9 t0 -54.36 -45.81 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.068 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -25.55 63.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -36.79 46.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -91.16 31.08 1.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.49 -69.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 8.4 t -103.79 46.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -36.5 -57.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' ASN . 4.8 m120 48.82 58.54 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' MET . 7.0 m120 39.85 69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.397 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 72' ' ' ASN . 0.0 OUTLIER -34.36 -55.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 1.1 pt -154.7 147.93 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -150.69 63.3 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 72.9 p -152.73 171.59 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 74.23 3.28 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 146.07 32.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.3 m -149.12 172.18 15.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.08 74.26 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.5 p -57.08 164.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.754 . . . . 0.0 110.439 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -166.89 131.96 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -165.5 156.5 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.86 168.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 97.1 m -132.16 171.42 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -90.28 158.51 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.9 p -135.61 159.86 40.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.3 110.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.8 p -155.97 114.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.6 m -144.2 151.62 39.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.16 134.41 52.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 t -90.28 150.06 22.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.39 -161.43 12.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.33 153.57 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.25 135.13 34.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.43 ' O ' ' CB ' ' A' ' 6' ' ' SER . 1.4 p -143.92 -177.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.43 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 81.12 -7.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -16.48 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt85 -104.42 -69.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.472 HG21 ' CD1' ' A' ' 38' ' ' ILE . 1.7 m -121.33 -39.39 2.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m -142.26 -146.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.85 -91.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -110.03 -163.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.458 HD23 ' CA ' ' A' ' 49' ' ' ALA . 10.6 mt -112.63 93.11 4.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.513 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.5 m 71.73 -133.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.513 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.6 -7.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 6.7 pt20 -146.36 88.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.506 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -54.12 89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.445 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.1 OUTLIER -68.45 160.64 75.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.442 ' HD2' ' CD2' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.02 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.531 ' CG1' ' HB ' ' A' ' 59' ' ' VAL . 92.1 t -51.38 -43.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -17.76 9.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -101.82 0.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.493 ' CD1' ' HA ' ' A' ' 21' ' ' VAL . 64.7 mt -92.12 139.37 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 63' ' ' MET . 3.4 ttpt -93.97 -80.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.496 ' CG2' ' CD1' ' A' ' 40' ' ' ILE . 3.1 t -122.75 175.37 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.413 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 23.2 p90 -145.47 148.92 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.29 119.46 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.412 ' CD1' HG11 ' A' ' 37' ' ' VAL . 46.0 mt -111.72 137.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' THR . . . . . 0.423 ' C ' ' HA ' ' A' ' 35' ' ' ARG . 68.5 p -127.13 178.65 5.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.427 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER -130.95 -15.17 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -51.49 -171.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 p -48.22 -20.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -87.09 -52.07 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 34' ' ' LEU . 19.4 ptt85 35.98 67.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -138.67 157.79 45.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.441 HG23 ' O ' ' A' ' 37' ' ' VAL . 15.7 m -95.17 122.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.472 ' CD1' HG21 ' A' ' 10' ' ' THR . 4.0 mm -95.52 133.96 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.459 ' CE2' HG11 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -112.71 117.94 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . 0.496 ' CD1' ' CG2' ' A' ' 26' ' ' THR . 3.4 mt -99.23 135.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 2.6 p -99.54 164.4 12.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -56.81 -37.15 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.24 -24.21 62.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.69 -0.28 34.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -81.26 134.63 35.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.638 0.846 . . . . 0.0 109.302 179.966 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 40' ' ' ILE . 5.7 ptpt -115.77 134.77 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -123.37 165.42 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.26 151.6 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.458 ' CA ' HD23 ' A' ' 14' ' ' LEU . . . -153.25 157.06 39.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.4 134.96 39.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 1.53 7.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -14.76 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB1' ' CG2' ' A' ' 56' ' ' VAL . . . -78.92 123.94 27.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.96 -39.76 79.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 19.3 p-90 -59.54 -42.19 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.459 HG11 ' CE2' ' A' ' 39' ' ' PHE . 73.0 t -60.22 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -32.92 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -48.44 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.531 ' HB ' ' CG1' ' A' ' 21' ' ' VAL . 24.9 m -70.81 -33.22 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . 0.5 ' N ' HG23 ' A' ' 59' ' ' VAL . 2.9 t -56.47 -41.52 72.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -47.72 84.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.4 t -73.66 -47.97 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.488 ' CE ' ' O ' ' A' ' 25' ' ' LYS . 52.5 mmm -38.32 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 t70 -57.01 -47.63 80.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.4 ptt85 -72.19 -30.02 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.36 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -99.68 34.4 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.66 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 91.8 m -146.77 35.49 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.418 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -53.29 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.524 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 13.3 m-20 -36.91 152.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . 0.524 ' HB2' ' O ' ' A' ' 71' ' ' ASN . 4.0 m-20 67.49 -58.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.492 ' N ' ' O ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER 63.59 -73.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.479 ' CG1' ' HG2' ' A' ' 73' ' ' MET . 1.2 pp -140.74 159.27 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' LYS . 38.5 mt-30 -102.66 68.81 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' GLN . 21.2 p 37.08 -97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER 47.27 68.92 3.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 158.2 42.71 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 m -54.04 169.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.55 -65.11 1.58 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.424 ' CG2' ' N ' ' A' ' 82' ' ' GLN . 9.8 t -163.29 -139.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.725 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.424 ' N ' ' CG2' ' A' ' 81' ' ' THR . 0.0 OUTLIER -142.57 123.32 14.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.06 156.61 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.4 p 178.98 134.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -142.32 164.2 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 177.96 155.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -129.21 164.11 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.2 99.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.244 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.0 p -147.72 113.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.0 m -115.74 151.72 34.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -109.62 132.5 54.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -148.72 144.2 26.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.12 157.58 29.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 169.07 17.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' C ' ' CG1' ' A' ' 5' ' ' VAL . 10.1 mm-40 -78.05 148.31 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . 0.404 ' CG1' ' C ' ' A' ' 4' ' ' GLU . 2.2 p 40.98 82.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.28 -11.36 12.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -129.53 -44.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -74.35 176.46 6.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -128.0 -68.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.481 ' O ' ' CB ' ' A' ' 11' ' ' CYS . 1.0 OUTLIER -123.65 -38.02 2.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER 161.73 167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.56 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 76.0 t -75.07 -88.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.499 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER -117.13 -167.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.423 ' O ' ' C ' ' A' ' 15' ' ' THR . 94.0 mt -91.5 150.47 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.545 ' O ' ' CB ' ' A' ' 16' ' ' THR . 0.9 OUTLIER 37.02 -137.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.545 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 86.39 9.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 179.97 106.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.569 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.61 104.15 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.227 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.4 mp -97.6 139.92 21.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.97 133.2 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' VAL . . . . . 0.425 ' CG2' HG13 ' A' ' 59' ' ' VAL . 14.8 t -51.22 -31.7 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.35 -25.23 67.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -27.17 15.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 9.2 mt -83.02 142.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -77.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -125.6 174.91 7.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 9.6 p90 -144.51 160.41 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.35 126.74 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -108.3 136.98 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.7 p -107.39 163.92 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.67 -19.77 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.12 -171.36 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -27.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.1 mt -64.37 -56.21 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER 37.39 45.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.36 157.11 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' VAL . . . . . 0.409 HG23 ' CG1' ' A' ' 56' ' ' VAL . 1.1 m -95.89 130.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ILE . . . . . 0.467 ' CD1' HG22 ' A' ' 10' ' ' THR . 9.6 mm -104.65 132.53 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.434 ' CE2' ' HB1' ' A' ' 49' ' ' ALA . 20.7 m-85 -116.03 117.73 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.3 mt -98.88 131.04 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.423 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 17.2 p -99.38 172.12 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -39.54 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -21.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.36 3.62 47.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.423 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -80.15 115.46 19.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.5 mtmm -102.11 134.04 46.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.451 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -129.73 168.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . 0.499 ' SG ' ' O ' ' A' ' 13' ' ' SER . 0.3 OUTLIER -116.62 154.05 31.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.371 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.434 ' HB1' ' CE2' ' A' ' 39' ' ' PHE . . . -147.07 154.43 41.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' CG ' ' CG ' ' A' ' 52' ' ' GLN . 1.6 t0 -80.27 126.44 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -82.81 -20.8 35.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 137.68 38.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -70.25 -37.63 74.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.1 p-90 -59.61 -39.82 85.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 107.925 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.409 ' CG1' HG23 ' A' ' 37' ' ' VAL . 73.6 t -66.25 -48.09 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.35 -34.4 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.71 -44.36 70.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' VAL . . . . . 0.425 HG13 ' CG2' ' A' ' 21' ' ' VAL . 0.9 OUTLIER -62.88 -36.45 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -46.91 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -73.88 -31.56 63.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' MET . . . . . 0.563 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 13.2 tpp -73.01 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.0 t0 -54.48 -46.01 73.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.45 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 16.9 ptt180 -69.43 -26.43 64.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.628 1.205 . . . . 0.0 110.223 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -80.06 -36.29 35.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' MET . 23.0 t -128.12 50.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -78.06 -53.47 7.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' THR . . . . . 0.405 HG22 ' N ' ' A' ' 70' ' ' ARG . 6.0 t -88.52 -44.34 10.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.354 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ARG . . . . . 0.405 ' N ' HG22 ' A' ' 69' ' ' THR . 0.3 OUTLIER -46.92 -37.99 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.49 -58.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 171.6 72.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' MET . . . . . 0.405 ' HG2' HG22 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -45.04 -28.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ILE . . . . . 0.427 ' CD1' ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -81.97 132.27 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -145.96 72.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.8 m -44.07 125.28 4.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 149.49 42.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.58 37.0 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.514 1.797 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 172.18 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.29 65.73 0.28 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 17.8 m -61.5 175.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.379 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.8 tt0 -131.99 164.1 26.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -119.79 156.1 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.51 167.9 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.1 m -99.77 163.69 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 -173.68 3.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 44.1 p -128.33 -176.04 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . 171.15 90.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.0 124.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -107.83 152.77 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.48 130.4 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 45.8 p -51.89 157.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.37 -75.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -109.84 -163.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 50' ' ' ASP . 9.7 mt -111.72 97.92 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 16' ' ' THR . 1.6 m 74.58 -137.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.84 -7.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 47' ' ' VAL . 5.6 pt20 -141.4 89.03 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.563 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -70.27 87.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 17' ' ' GLN . 7.1 mp -80.94 142.88 52.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 138.51 23.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.554 1.818 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.831 HG22 HG13 ' A' ' 59' ' ' VAL . 51.5 t -51.93 -31.45 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -62.26 -26.69 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -95.18 -3.64 47.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 21' ' ' VAL . 6.7 mt -107.01 148.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.46 -77.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.441 ' CG2' HD12 ' A' ' 40' ' ' ILE . 3.0 t -120.02 170.77 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 6.4 p90 -140.29 155.59 46.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.75 122.93 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mt -113.42 129.58 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 p -101.67 165.0 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.52 -20.14 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.66 -171.72 5.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.27 -27.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -63.53 -58.81 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 1.5 ttp85 37.39 51.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.27 44.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.625 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 2.1 m -96.67 119.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 48' ' ' CYS . 24.5 mm -99.89 124.43 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CZ ' HG13 ' A' ' 56' ' ' VAL . 19.7 m-85 -111.75 117.92 34.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.441 HD12 ' CG2' ' A' ' 26' ' ' THR . 7.8 mt -100.79 133.08 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 23' ' ' ARG . 3.1 p -99.38 165.61 11.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.43 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -10.51 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 -17.43 32.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.24 -3.25 54.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 117.29 20.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -107.32 135.42 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG21 ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -131.87 156.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.423 ' HA ' HD13 ' A' ' 38' ' ' ILE . 7.4 p -108.23 155.01 20.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.625 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -152.27 155.1 37.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.478 ' CG ' HD13 ' A' ' 14' ' ' LEU . 8.4 m-20 -80.44 130.39 65.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.08 -9.27 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -90.24 130.54 36.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.3 m -69.28 -38.13 78.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 1.8 p-90 -60.05 -36.34 77.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 76.9 t -68.01 -48.1 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.64 -44.31 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.831 HG13 HG22 ' A' ' 21' ' ' VAL . 1.7 t -67.22 -37.33 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.65 -40.26 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -45.62 85.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.9 t -70.89 -46.87 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.678 ' HE1' HG22 ' A' ' 24' ' ' ILE . 60.7 mmm -42.07 -41.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -58.28 -43.71 88.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 16.2 ttt180 -71.23 -33.51 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -67.75 -36.13 79.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.3 p -162.9 171.41 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -152.21 162.35 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -139.76 171.32 14.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.0 p -148.83 178.05 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.99 109.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 89' ' ' VAL . 8.1 p -159.58 118.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -117.73 149.23 41.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.09 155.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.36 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 2.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -110.51 -91.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -163.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.8 mt -108.61 105.14 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.668 ' O ' HG22 ' A' ' 16' ' ' THR . 7.7 m 72.21 -132.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.51 -0.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LEU . 5.1 pt20 -146.31 90.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -65.53 73.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -67.56 144.69 97.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 133.0 16.2 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -51.61 -36.29 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -58.92 -25.69 63.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 -18.04 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 21' ' ' VAL . 8.0 mt -93.02 151.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -72.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 ' HB ' ' A' ' 40' ' ' ILE . 7.1 t -120.66 167.2 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 p90 -138.78 161.17 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.514 ' C ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -144.08 122.49 12.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 110.386 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.0 mp -104.81 137.04 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -102.4 160.56 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.476 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -19.89 8.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.72 -172.33 7.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -25.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -65.74 -57.1 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 37.56 62.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.4 156.54 48.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.542 HG12 HG13 ' A' ' 29' ' ' ILE . 3.5 m -96.16 116.64 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 48' ' ' CYS . 17.6 mm -94.7 130.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HB2' HG12 ' A' ' 47' ' ' VAL . 42.2 m-85 -111.7 117.3 32.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.629 ' HB ' HG22 ' A' ' 26' ' ' THR . 7.6 mt -103.24 123.95 57.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ILE . 2.2 p -93.84 165.33 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -27.77 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -21.24 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.79 -0.59 52.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -79.7 116.55 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -104.84 137.46 42.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.29 169.53 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.5 m -115.37 153.43 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 108.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.32 155.26 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.36 130.08 55.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -13.24 57.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -82.3 134.14 35.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -69.75 -41.34 75.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.552 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 8.1 p-90 -59.71 -34.12 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.978 ' O ' HG23 ' A' ' 60' ' ' VAL . 33.6 t -67.93 -47.32 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.32 -35.72 81.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -44.16 70.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.764 HG13 HG23 ' A' ' 21' ' ' VAL . 8.6 t -66.8 -37.11 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 56' ' ' VAL . 56.3 t -59.18 -40.48 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -44.72 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -35.1 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.592 ' SD ' HG22 ' A' ' 21' ' ' VAL . 44.4 mmm -52.6 -43.88 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.82 -31.6 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -43.96 80.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -76.66 -28.48 56.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 31.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -178.89 160.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 86' ' ' ASN . 88.1 m -120.66 168.66 11.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.431 ' N ' HG22 ' A' ' 85' ' ' THR . 2.3 p-10 -94.64 167.12 11.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 35.9 p -96.89 -177.08 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.28 107.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.57 124.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -124.28 152.97 42.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -111.21 135.12 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.545 ' N ' HD12 ' A' ' 91' ' ' LEU . 3.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -116.17 -78.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 -163.22 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.766 HD13 ' OD1' ' A' ' 50' ' ' ASP . 12.4 mt -114.07 102.49 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.838 ' O ' HG22 ' A' ' 16' ' ' THR . 9.8 m 69.85 -128.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.458 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER 69.94 24.3 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.71 76.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -49.64 99.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.57 145.21 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.04 128.74 11.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.704 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -53.13 -38.66 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -56.8 -32.33 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 6.0 mmt180 -88.64 -14.0 38.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.815 HG22 ' HE1' ' A' ' 63' ' ' MET . 11.0 mt -93.76 143.13 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -77.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -130.93 164.71 24.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 15.8 p90 -131.47 161.26 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.48 123.35 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.9 mt -108.11 136.81 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 68.1 p -106.77 168.49 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 -19.31 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.35 -173.18 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLY . 80.2 p -39.16 -29.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -64.23 -57.9 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.32 48.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.43 156.8 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -96.28 119.43 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 48' ' ' CYS . 23.3 mm -97.38 132.43 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 37' ' ' VAL . 56.1 m-85 -116.21 119.17 34.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.75 132.32 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.3 p -98.03 165.68 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -43.99 74.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HD3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.26 -22.25 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.07 5.23 47.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.53 HD12 ' HD3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -83.57 130.69 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 0.797 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -114.87 167.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.66 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -112.63 139.45 48.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.574 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -136.46 154.03 50.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.766 ' OD1' HD13 ' A' ' 14' ' ' LEU . 2.9 m-20 -86.0 132.33 44.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.7 8.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.408 1.741 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -81.96 -11.36 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.79 132.71 34.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.42 -41.72 72.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.522 ' HZ2' HG23 ' A' ' 15' ' ' THR . 4.7 p-90 -59.74 -33.29 71.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.622 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 74.4 t -68.18 -48.05 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -36.39 80.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -44.28 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.11 -37.42 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 56' ' ' VAL . 8.6 t -59.35 -40.18 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -57.87 -43.41 85.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' ARG . 3.4 t -72.5 -48.73 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.815 ' HE1' HG22 ' A' ' 24' ' ' ILE . 77.1 mmm -42.29 -44.93 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.17 -44.04 87.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.217 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' SER . 4.8 mmt85 -71.01 -37.33 72.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.213 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -64.02 -35.88 82.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.949 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 p -150.8 79.29 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.6 p -61.18 128.07 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' C ' HG23 ' A' ' 87' ' ' THR . 3.6 t-20 -101.39 160.03 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 86' ' ' ASN . 65.3 p -150.67 167.78 26.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.471 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.77 75.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.7 p -132.29 111.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -139.93 152.92 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 110.375 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -78.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -112.17 -163.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' OD2' ' A' ' 50' ' ' ASP . 9.1 mt -109.85 101.02 9.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 16' ' ' THR . 2.7 m 73.18 -136.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 81.41 -4.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.2 pt20 -138.65 93.01 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -67.79 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -62.35 139.04 96.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -50.92 -33.2 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -41.35 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.37 14.2 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.483 HG22 ' HE1' ' A' ' 63' ' ' MET . 68.4 mt -116.32 145.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -75.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.16 178.25 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.1 p90 -142.55 154.99 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -132.79 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.715 HG12 HG12 ' A' ' 37' ' ' VAL . 49.0 mt -108.69 136.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.7 p -98.07 164.82 12.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -118.19 -18.57 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.56 -168.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -10.54 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.947 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 36' ' ' ALA . 1.7 tp -84.32 -49.7 8.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 39.61 61.1 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.342 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -119.58 156.52 30.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 49' ' ' ALA . 30.0 m -96.13 131.5 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.652 HD13 ' HA ' ' A' ' 48' ' ' CYS . 10.7 mm -108.78 132.04 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -112.6 117.24 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -98.41 126.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.1 p -91.18 165.18 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -60.32 -33.16 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -23.22 66.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.87 0.79 36.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.03 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -82.06 132.13 35.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 1.03 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.1 ptpt -117.51 126.23 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -120.05 156.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.652 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.5 p -105.57 144.53 32.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -145.29 154.74 42.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.542 ' OD2' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -82.01 135.9 47.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 2.89 6.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.32 -11.35 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -85.85 133.7 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -69.92 -40.98 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE2' HG23 ' A' ' 56' ' ' VAL . 5.4 p-90 -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 108.016 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 55' ' ' TRP . 6.6 t -57.22 -48.46 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -67.2 -33.01 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.07 -46.85 79.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 56' ' ' VAL . 32.9 m -70.03 -36.75 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.22 -40.31 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.79 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -73.41 -39.41 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.483 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.54 -40.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.85 -45.27 86.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -69.93 -39.59 76.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -35.67 81.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.896 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -138.68 149.55 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.8 p -89.26 179.58 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.61 161.62 32.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -145.53 168.89 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.94 108.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.4 p -155.91 118.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -99.13 164.73 12.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.798 ' O ' HG22 ' A' ' 92' ' ' THR . 0.4 OUTLIER -59.25 179.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 91' ' ' LEU . 14.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.35 -76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 52.0 p -115.52 -163.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.6 mt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.684 ' O ' HG22 ' A' ' 16' ' ' THR . 2.3 m 67.92 -134.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.42 -0.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.21 77.63 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.595 ' HA ' ' CH2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -68.41 85.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.782 HD11 HG12 ' A' ' 24' ' ' ILE . 2.3 pt? -92.57 154.2 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.88 20.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.933 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.67 -34.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -19.26 63.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.3 mpt_? -96.23 -11.75 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 21' ' ' VAL . 5.7 mt -97.88 152.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -102.08 -83.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.58 ' CG2' HD12 ' A' ' 40' ' ' ILE . 9.2 t -118.79 177.93 4.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 p90 -143.62 159.54 42.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 123.58 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.51 137.12 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -105.37 170.33 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -19.55 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.646 1.216 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.42 -174.0 18.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -40.2 -29.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -62.67 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 36.43 47.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -122.62 156.39 34.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.3 m -96.62 119.21 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 48' ' ' CYS . 17.2 mm -98.69 119.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 8.5 m-85 -101.87 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.58 HD12 ' CG2' ' A' ' 26' ' ' THR . 3.7 mt -101.48 127.59 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.49 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -99.1 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.3 mtmp? -61.89 -21.21 64.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.222 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -19.24 59.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.66 -1.24 58.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.412 1.07 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD11 HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -80.47 117.51 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.617 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.5 mtmm -104.6 134.21 48.15 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.69 HG23 HD11 ' A' ' 45' ' ' LEU . 2.1 t -133.37 148.64 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.504 ' HA ' HD13 ' A' ' 38' ' ' ILE . 9.7 p -97.05 153.64 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -152.0 155.03 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -80.86 133.46 55.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 35' ' ' ARG . 18.3 Cg_endo -74.99 2.46 6.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -20.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.779 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -71.9 132.45 44.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.511 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 79.5 m -67.22 -37.08 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.595 ' CH2' ' HA ' ' A' ' 18' ' ' ARG . 6.1 p-90 -72.73 -39.07 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.779 ' HB ' ' HB3' ' A' ' 53' ' ' ALA . 39.5 t -61.12 -51.46 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 54' ' ' THR . 8.0 ptt85 -67.64 -32.59 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' THR . 1.2 m-20 -69.74 -41.54 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.874 HG13 HG23 ' A' ' 21' ' ' VAL . 5.9 t -67.22 -37.13 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 56' ' ' VAL . 7.1 t -58.97 -40.54 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -46.34 91.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.25 -39.19 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.491 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -41.29 -32.7 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.07 -45.99 86.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -38.24 71.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -35.27 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.06 160.07 38.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.0 m -135.18 157.93 45.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -120.05 167.73 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.206 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 55.8 p -120.95 -178.95 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.77 89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 89' ' ' VAL . 7.7 p -124.27 117.08 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.0 m -111.14 148.71 32.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.77 121.86 44.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 13' ' ' SER . 6.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -91.16 -83.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 3.7 t -115.56 -163.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD13 ' OD1' ' A' ' 50' ' ' ASP . 11.9 mt -101.0 105.1 16.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.623 ' O ' HG22 ' A' ' 16' ' ' THR . 2.7 m 76.98 -133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.08 13.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.434 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -176.39 111.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -87.2 79.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.842 HD11 HG12 ' A' ' 24' ' ' ILE . 1.1 pt? -65.26 150.9 95.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.38 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.875 ' HA ' HD12 ' A' ' 24' ' ' ILE . 65.5 t -52.64 -35.39 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -20.23 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.891 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.67 -14.5 22.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 21' ' ' VAL . 30.5 mt -85.92 152.47 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -119.98 -70.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.58 HG22 ' HB ' ' A' ' 40' ' ' ILE . 12.5 t -123.65 163.5 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 p90 -139.39 151.75 46.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -132.72 120.11 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.07 HG23 HG12 ' A' ' 37' ' ' VAL . 1.4 mm -110.6 137.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -110.31 157.78 19.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -22.61 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -149.39 144.91 12.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 2.4 t 85.99 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -119.36 -48.67 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 45.18 30.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 158.21 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.07 HG12 HG23 ' A' ' 29' ' ' ILE . 5.1 m -95.14 132.41 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' A' ' 48' ' ' CYS . 40.9 mm -112.41 111.54 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.461 ' HB2' HG12 ' A' ' 47' ' ' VAL . 3.0 m-85 -92.23 119.21 31.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.58 ' HB ' HG22 ' A' ' 26' ' ' THR . 3.6 mt -105.37 135.1 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.407 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 2.0 p -98.68 165.14 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.47 -17.94 64.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -20.19 56.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.84 8.92 53.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.13 115.88 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 0.811 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 40' ' ' ILE . 52.5 mtpt -92.96 135.7 33.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -133.72 169.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.583 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -123.46 149.96 44.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.51 155.67 36.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.656 ' OD1' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -84.32 131.92 49.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.06 1.95 7.2 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.83 -15.33 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 55' ' ' TRP . . . -79.17 133.39 36.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -70.29 -39.46 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.635 ' CE2' HG23 ' A' ' 56' ' ' VAL . 28.6 p-90 -59.81 -37.83 80.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.635 HG23 ' CE2' ' A' ' 55' ' ' TRP . 4.9 t -65.58 -48.32 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -35.58 80.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.91 -43.97 70.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 21' ' ' VAL . 2.9 t -63.55 -37.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.075 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.69 -40.52 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.208 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.62 -46.33 90.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -73.16 -42.36 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.43 ' HG3' HG12 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.85 -29.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.36 -46.73 82.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.1 ptt180 -71.17 -29.6 65.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -36.12 70.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.998 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 m -107.89 173.87 6.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -114.87 164.11 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.99 163.74 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -110.38 177.72 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.442 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -178.49 90.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.58 125.96 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -67.58 169.91 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.834 HD12 HG23 ' A' ' 92' ' ' THR . 0.6 OUTLIER -109.96 116.83 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.834 HG23 HD12 ' A' ' 91' ' ' LEU . 65.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 13' ' ' SER . 12.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -100.94 -78.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 4.9 m -118.01 -163.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD13 ' OD2' ' A' ' 50' ' ' ASP . 14.9 mt -104.81 105.06 14.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.739 ' O ' HG22 ' A' ' 16' ' ' THR . 5.0 m 76.1 -131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.72 -1.6 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 2.5 pt20 -155.86 68.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -58.6 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.724 HD11 HG12 ' A' ' 24' ' ' ILE . 2.5 pt? -92.03 154.56 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 141.5 26.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.412 1.743 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.838 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -52.03 -34.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -64.68 -19.8 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 5.5 mpt_? -98.78 10.06 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 21' ' ' VAL . 11.1 mt -118.69 152.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -75.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.82 165.32 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.441 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 8.6 p90 -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.81 119.91 13.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.964 HG23 HG12 ' A' ' 37' ' ' VAL . 1.7 mm -102.0 137.03 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -107.7 160.0 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.437 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.18 -19.78 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.86 -171.02 5.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -26.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 0.745 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.9 mt -65.87 -54.74 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.99 54.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.96 157.25 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.964 HG12 HG23 ' A' ' 29' ' ' ILE . 5.0 m -95.78 124.09 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 35.8 mm -100.24 113.14 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' HB2' HG12 ' A' ' 47' ' ' VAL . 17.1 m-85 -97.73 120.35 37.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.78 139.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 p -98.87 168.84 9.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.34 -16.76 63.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.239 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -17.83 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.2 -0.83 43.87 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 116.47 20.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 0.703 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -105.24 137.56 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -132.4 170.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.4 153.89 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.24 154.89 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD2' HD13 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -85.51 129.2 56.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 3.59 5.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.1 -15.26 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.4 135.7 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -69.9 -41.14 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 18' ' ' ARG . 20.6 p-90 -60.68 -42.01 96.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 59' ' ' VAL . 36.0 t -58.31 -48.8 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -33.11 74.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.34 82.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.384 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 56' ' ' VAL . 33.7 m -69.29 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.07 -41.32 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -45.23 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -73.85 -38.59 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.942 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.549 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 46.7 mmm -43.58 -37.71 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -57.79 -40.57 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.203 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.3 ttm180 -70.19 -39.56 75.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' CA ' ' HE2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.47 -35.98 77.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 84' ' ' SER . 8.0 tp60 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER 174.8 155.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -147.33 -164.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -93.77 157.85 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.0 p -127.38 164.27 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.46 99.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 89' ' ' VAL . 12.8 p -147.08 109.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -111.24 129.25 56.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.548 ' N ' HD12 ' A' ' 91' ' ' LEU . 59.2 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.9 t -96.83 -83.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -108.72 -163.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.504 HD13 ' OD1' ' A' ' 50' ' ' ASP . 12.0 mt -108.5 105.23 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.615 ' O ' HG22 ' A' ' 16' ' ' THR . 4.9 m 75.47 -130.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 79.76 18.18 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -176.16 111.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -77.19 81.34 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -72.4 136.96 81.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 62' ' ' SER . 0.6 OUTLIER -51.42 -37.03 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -29.68 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' C ' ' HE3' ' A' ' 42' ' ' LYS . 2.0 mpt_? -88.02 -19.76 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.684 HG22 ' HE1' ' A' ' 63' ' ' MET . 10.7 mt -94.29 150.19 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' HE1' ' A' ' 63' ' ' MET . 0.5 OUTLIER -107.25 -77.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 40' ' ' ILE . 6.2 t -117.87 172.55 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 9.9 p90 -143.99 155.41 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.95 128.6 36.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.86 135.68 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -108.99 165.99 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.85 -20.28 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.14 -171.3 4.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.385 1.053 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.48 -26.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.08 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -64.07 -59.71 4.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.31 55.12 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.96 156.53 47.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.3 m -96.54 118.0 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.623 HD13 ' HA ' ' A' ' 48' ' ' CYS . 21.3 mm -97.0 130.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -109.58 119.3 38.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 26' ' ' THR . 5.3 mt -103.76 127.23 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 24' ' ' ILE . 2.9 p -97.37 164.99 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.35 -30.23 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -20.72 65.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 0.23 55.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.87 112.24 16.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 38' ' ' ILE . 9.5 ptmt -102.81 137.25 41.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -131.46 176.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.623 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.7 m -119.22 154.49 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.334 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.24 154.51 34.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.504 ' OD1' HD13 ' A' ' 14' ' ' LEU . 3.6 m-20 -84.8 128.92 58.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 1.05 8.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -81.81 -11.65 58.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.68 135.84 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -69.36 -40.39 77.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 10.5 p-90 -62.39 -34.22 76.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.853 ' O ' HG23 ' A' ' 60' ' ' VAL . 38.5 t -67.18 -48.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -44.42 70.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.5 t -66.69 -38.0 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.7 t -59.5 -39.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -42.66 97.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.495 ' HB3' HG21 ' A' ' 21' ' ' VAL . 2.6 t -73.19 -44.62 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.684 ' HE1' HG22 ' A' ' 24' ' ' ILE . 69.3 mmm -40.56 -41.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -58.11 -46.13 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -27.99 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.94 71.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.968 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 165.85 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 86' ' ' ASN . 98.2 m -137.96 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.407 ' N ' HG22 ' A' ' 85' ' ' THR . 2.0 m-80 -149.56 159.82 43.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.2 p -131.49 -178.86 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.79 115.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.42 123.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.539 HG22 HD23 ' A' ' 91' ' ' LEU . 35.1 m -115.25 152.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 HG22 ' A' ' 90' ' ' THR . 0.5 OUTLIER -42.56 162.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 92' ' ' THR . 28.1 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.447 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 4.8 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.704 HG22 ' N ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -81.78 -90.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.704 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -105.62 -162.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.056 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 48' ' ' CYS . 62.6 mt -105.58 149.92 25.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER 36.88 -138.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.72 -7.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.554 ' NE2' HG21 ' A' ' 47' ' ' VAL . 2.7 pt20 -142.61 82.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 59.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.836 HD11 HG12 ' A' ' 24' ' ' ILE . 1.3 pt? -63.29 151.97 85.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.38 20.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.92 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.76 -36.15 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -24.72 64.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.44 -18.81 27.51 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.6 mt -87.33 148.99 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.621 1.201 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -104.39 -75.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 t -122.04 166.51 14.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.0 p90 -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.16 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.5 mt -111.85 137.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.3 p -111.19 163.56 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -20.12 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.213 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -66.69 -172.2 4.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -42.06 -27.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -64.68 -57.04 10.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.98 52.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -133.9 156.57 47.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 49' ' ' ALA . 33.3 m -96.13 133.19 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.465 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 11.9 mm -107.84 132.11 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.46 ' HB2' HG12 ' A' ' 47' ' ' VAL . 25.8 m-85 -115.45 117.72 31.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mt -106.13 128.36 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.599 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -94.0 165.29 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -23.49 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.72 -0.83 39.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.941 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.54 126.07 30.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 0.725 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.941 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.5 ptmt -111.96 137.52 49.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.554 HG21 ' NE2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -129.76 172.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 47' ' ' VAL . 3.8 m -120.62 138.63 53.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.875 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -136.29 152.61 50.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 132.76 51.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 1.77 7.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -12.84 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 55' ' ' TRP . . . -87.33 134.2 33.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.4 m -70.03 -40.94 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.503 ' CE2' HG23 ' A' ' 56' ' ' VAL . 22.2 p-90 -59.76 -42.67 93.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 108.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.648 ' CG1' HG21 ' A' ' 37' ' ' VAL . 23.4 t -57.78 -48.74 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -67.66 -33.04 74.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -46.59 80.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.599 ' HB ' HG23 ' A' ' 21' ' ' VAL . 33.9 m -69.5 -36.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.2 t -59.11 -40.31 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -46.1 91.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -73.16 -37.5 66.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.621 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -44.63 -46.99 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.79 -31.83 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -70.37 -48.73 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 67' ' ' SER . 0.3 OUTLIER -71.65 -25.33 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 66' ' ' LYS . 46.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.5 p -179.73 164.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 86' ' ' ASN . 32.6 m -122.62 171.06 9.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.503 ' N ' HG22 ' A' ' 85' ' ' THR . 5.1 p30 -88.71 168.72 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.0 p -100.38 175.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.28 99.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.95 123.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.0 m -119.37 150.94 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 92' ' ' THR . 0.9 OUTLIER -107.07 158.27 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.752 ' H ' HD12 ' A' ' 91' ' ' LEU . 8.9 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 63.5 t -100.67 -83.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 24.6 p -109.31 -164.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.945 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.4 pp -114.44 106.98 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.6 m 83.74 -136.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 83.52 -8.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.452 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' HD23 ' A' ' 19' ' ' LEU . 5.7 pt20 -152.56 100.57 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 1.1 ttm180 -81.87 117.06 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -115.84 160.06 36.6 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 136.38 20.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.842 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.35 -35.53 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -58.39 -35.7 72.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -21.82 57.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 21' ' ' VAL . 4.5 mt -87.93 149.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -131.51 168.76 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.731 ' CE2' HG13 ' A' ' 60' ' ' VAL . 9.0 p90 -144.06 156.14 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.82 121.72 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.504 HG12 HG12 ' A' ' 37' ' ' VAL . 57.2 mt -100.84 137.24 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -107.07 160.48 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.35 -20.31 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.81 -173.03 8.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.145 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -39.46 -29.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.942 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.2 mt -63.96 -55.4 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.3 ttt-85 37.71 53.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.06 156.28 48.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 2.1 m -96.54 127.07 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.446 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 5.2 mm -98.77 130.38 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 6.1 m-85 -110.68 116.73 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -104.15 130.57 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.0 p -99.04 167.17 10.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -34.64 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -23.47 66.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.56 0.0 42.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.45 116.39 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 2.3 ptpt -104.84 136.68 43.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -132.54 168.66 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 7.9 m -108.32 156.94 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -153.63 155.57 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' HB2' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -85.07 130.73 51.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 1.28 7.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.81 -16.32 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -79.37 132.09 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.87 -42.59 73.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.686 ' CE2' HG23 ' A' ' 56' ' ' VAL . 30.9 p-90 -59.71 -43.99 93.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.808 ' O ' HG23 ' A' ' 60' ' ' VAL . 16.3 t -58.03 -48.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -33.52 74.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.18 -46.47 83.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 56' ' ' VAL . 20.4 m -69.48 -36.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 56' ' ' VAL . 34.7 t -59.24 -40.59 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.56 89.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.39 -39.81 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.638 ' HE3' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -43.34 -42.42 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.37 -40.88 83.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.9 ttt180 -71.29 -43.82 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -35.95 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 0.0 110.049 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 170.52 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 86' ' ' ASN . 2.2 t -139.76 177.36 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' N ' ' OG1' ' A' ' 85' ' ' THR . 3.1 t-20 -160.72 163.39 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.6 p -146.26 177.03 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.16 108.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.4 p -161.02 119.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.607 HG22 HD23 ' A' ' 91' ' ' LEU . 25.7 m -103.56 152.65 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 90' ' ' THR . 0.7 OUTLIER -42.56 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.379 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 18.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -88.55 -84.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -118.31 -163.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 15' ' ' THR . 12.6 mt -114.63 95.04 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.3 m 77.94 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 82.22 -5.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.417 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -142.1 87.93 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NE ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -69.26 60.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.059 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.668 HD11 HG12 ' A' ' 24' ' ' ILE . 2.2 pt? -57.8 155.47 22.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.16 30.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.534 1.807 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.706 HG22 HG13 ' A' ' 59' ' ' VAL . 59.6 t -59.4 -29.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -39.25 87.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.6 1.188 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -85.0 0.68 50.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.668 HG12 HD11 ' A' ' 19' ' ' LEU . 96.5 mt -100.52 144.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 26' ' ' THR . 12.6 tppt? -96.85 -87.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.471 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 14.8 t -127.55 -176.79 3.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.702 ' CE2' HG13 ' A' ' 60' ' ' VAL . 9.0 p90 -144.12 160.69 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.31 126.19 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.672 HG12 HG12 ' A' ' 37' ' ' VAL . 27.5 mt -109.44 137.31 42.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.57 1.169 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 p -109.01 164.47 12.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -19.04 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -69.18 -173.29 9.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' GLY . 93.6 p -39.49 -29.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 0.719 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.1 mt -62.76 -56.43 17.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.11 46.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.78 158.04 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 49' ' ' ALA . 34.2 m -94.87 132.6 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 47' ' ' VAL . 15.7 mm -107.27 124.84 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' O ' HG12 ' A' ' 47' ' ' VAL . 1.4 m-85 -106.58 117.43 34.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 2.0 mt -95.8 142.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.538 HG22 ' CD1' ' A' ' 19' ' ' LEU . 12.8 p -99.49 170.79 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -63.89 -39.66 94.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -22.67 58.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.26 40.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.72 126.38 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HE2' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -92.44 127.62 37.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -120.8 170.69 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.498 ' HA ' HD13 ' A' ' 38' ' ' ILE . 5.1 m -121.7 150.63 41.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.704 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.39 146.5 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.63 137.25 44.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.81 6.23 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -13.23 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 129.45 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -70.23 -39.7 74.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.654 ' NE1' HG23 ' A' ' 56' ' ' VAL . 7.6 p-90 -59.77 -42.91 94.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 60' ' ' VAL . 19.7 t -63.7 -47.73 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 37.3 mtm180 -63.44 -34.56 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -44.11 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.706 HG13 HG22 ' A' ' 21' ' ' VAL . 35.7 t -65.49 -36.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.7 t -58.75 -40.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.195 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -47.46 85.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -73.79 -39.54 64.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.603 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.5 -41.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.88 -46.33 85.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 mtt-85 -71.4 -44.9 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.58 1.175 . . . . 0.0 110.25 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.29 74.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.62 155.94 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.3 m -127.23 167.53 15.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -142.26 160.87 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -131.49 -179.92 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.08 85.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.94 127.0 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -127.99 151.8 48.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -109.8 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.384 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -101.76 -77.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m -118.22 -162.54 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 14' ' ' LEU . 14.6 mt -108.69 104.18 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 16' ' ' THR . 10.1 m 70.9 -127.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 75.43 22.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -175.12 110.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 93.86 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -86.78 135.65 35.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.19 -31.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.95 75.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -6.18 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 21' ' ' VAL . 18.5 mt -99.0 139.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.24 -75.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.13 176.44 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.755 ' CE2' HG13 ' A' ' 60' ' ' VAL . 5.5 p90 -144.16 157.76 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.79 120.47 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -110.93 134.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -112.32 172.44 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -24.73 5.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -166.17 0.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' ARG . 2.9 mt -68.33 -57.14 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.197 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 tpt85 37.16 35.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.253 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 156.83 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.546 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.4 m -96.52 126.08 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 10.1 mm -97.24 131.96 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CD2' HD13 ' A' ' 24' ' ' ILE . 4.7 m-85 -114.14 117.82 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' ILE . 3.4 mt -101.55 135.05 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 p -99.18 167.26 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' NZ ' ' HG2' ' A' ' 25' ' ' LYS . 60.2 mmtt -57.05 -50.26 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -21.3 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 10.08 35.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.84 123.15 28.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.829 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.2 ptmt -107.73 136.92 46.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -133.57 175.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' H ' HG22 ' A' ' 47' ' ' VAL . 2.4 m -116.15 152.99 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -153.06 154.84 35.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.208 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 135.73 40.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.17 6.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -13.3 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -80.22 128.83 33.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -70.08 -44.61 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.485 ' CE2' HG23 ' A' ' 56' ' ' VAL . 16.0 p-90 -59.86 -44.09 94.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 39' ' ' PHE . 63.8 t -57.58 -48.31 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -67.25 -33.1 74.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -46.87 78.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 56' ' ' VAL . 34.1 m -69.88 -36.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.755 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.6 t -58.08 -40.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.67 84.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -34.53 63.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.94 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.574 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -48.26 -42.55 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.49 -31.77 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -48.71 62.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.82 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.7 p -171.47 157.75 4.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 86' ' ' ASN . 5.9 t -148.57 -163.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.483 ' N ' HG23 ' A' ' 85' ' ' THR . 1.4 t30 178.51 167.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.6 p -127.12 168.23 14.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.95 100.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' VAL . 10.8 p -144.23 120.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.614 1.196 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -127.52 154.11 45.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -104.66 131.32 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 91' ' ' LEU . 1.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -68.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.198 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -118.13 -163.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 14' ' ' LEU . 10.7 mt -113.45 100.22 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 16' ' ' THR . 6.1 m 73.16 -129.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 74.83 2.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.6 pt20 -149.73 87.66 1.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -60.82 81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -75.34 146.52 81.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 131.28 14.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.949 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -51.6 -38.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -57.09 -42.69 81.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 7.6 mmt-85 -74.99 -5.32 43.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.949 HD12 ' HA ' ' A' ' 21' ' ' VAL . 14.1 mt -102.34 147.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.93 -75.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 40' ' ' ILE . 5.4 t -125.29 173.3 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.528 ' CE2' HG13 ' A' ' 60' ' ' VAL . 8.2 p90 -144.26 157.45 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -134.73 119.77 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.593 HG12 HG12 ' A' ' 37' ' ' VAL . 17.4 mt -102.72 137.94 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 16.7 p -115.57 161.09 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -119.92 -23.07 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -64.73 -169.32 1.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -41.23 -28.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 0.733 . . . . 0.0 110.032 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.8 mt -65.39 -55.9 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' NE ' ' OE2' ' A' ' 31' ' ' GLU . 0.4 OUTLIER 37.06 49.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.35 157.49 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 49' ' ' ALA . 28.4 m -95.38 132.79 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.3 mm -105.0 133.07 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.756 ' CD2' HD13 ' A' ' 24' ' ' ILE . 4.5 m-85 -116.62 117.3 29.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.518 HD13 ' HD2' ' A' ' 46' ' ' LYS . 9.5 mt -102.37 130.68 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -98.83 165.29 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.24 69.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -21.51 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.02 1.59 48.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.58 128.46 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HD2' HD13 ' A' ' 40' ' ' ILE . 1.2 mtmm -112.09 137.24 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.71 171.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' N ' HG13 ' A' ' 47' ' ' VAL . 2.0 m -119.13 152.49 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 108.252 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.21 155.12 36.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.41 132.66 55.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 2.22 6.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.581 1.832 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.51 -13.74 57.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -82.22 127.83 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 58' ' ' ASP . 2.3 m -69.75 -42.32 74.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.577 ' CZ2' ' HG2' ' A' ' 18' ' ' ARG . 8.0 p-90 -59.97 -38.91 83.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 1.002 ' O ' HG23 ' A' ' 60' ' ' VAL . 75.3 t -64.68 -48.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 2.3 mtp-105 -67.29 -33.57 75.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 5.3 t70 -63.92 -46.03 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 56' ' ' VAL . 31.2 m -70.58 -34.13 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 56' ' ' VAL . 47.7 t -56.35 -41.73 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.39 -31.72 69.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.598 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 1.3 t -75.54 -41.03 56.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.479 ' HE1' HG22 ' A' ' 24' ' ' ILE . 81.6 mmm -39.94 -46.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -58.23 -45.87 86.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.36 -34.04 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.53 -36.01 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.1 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.5 p -70.97 120.66 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -63.37 161.87 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -85.66 171.59 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -168.54 83.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.42 122.25 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -139.47 152.13 46.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 92' ' ' THR . 1.3 tp -105.74 135.36 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 91' ' ' LEU . 9.1 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.81 HG22 ' N ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -107.98 -95.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.81 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -95.79 -164.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 50' ' ' ASP . 8.6 mt -106.08 103.68 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 m 78.41 -138.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.75 -5.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.93 75.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -66.99 74.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.771 HD11 HG12 ' A' ' 24' ' ' ILE . 2.6 pt? -76.75 154.5 83.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 135.77 19.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.873 ' HA ' HD12 ' A' ' 24' ' ' ILE . 1.5 p -51.14 -38.12 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -57.13 -27.95 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -88.35 -12.24 43.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.1 mt -96.33 150.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -103.42 -85.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -116.78 170.94 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 13.1 p90 -143.44 161.16 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.0 119.89 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -104.32 137.19 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -109.31 163.04 13.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -20.58 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.52 -172.35 11.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 m -39.13 -30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -61.81 -59.12 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.9 ttt180 37.21 55.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.37 156.33 48.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.572 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.5 m -96.53 122.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 19.1 mm -97.22 131.85 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CZ ' HG13 ' A' ' 56' ' ' VAL . 26.3 m-85 -118.35 117.58 29.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mt -103.67 127.29 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 4.6 p -95.73 165.73 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.4 mtmp? -59.1 -37.14 76.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.31 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.04 3.41 54.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.181 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.86 122.05 26.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 6.6 ptmt -108.79 136.88 47.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -133.43 169.22 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 13' ' ' SER . 20.0 p -120.44 140.86 50.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.572 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -137.77 155.28 49.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CG ' HD13 ' A' ' 14' ' ' LEU . 2.9 m-20 -82.42 134.56 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 3.38 5.68 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -16.1 53.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.15 132.27 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -70.7 -39.9 73.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 22.9 p-90 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 60' ' ' VAL . 53.7 t -57.86 -47.66 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.18 76.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 56' ' ' VAL . 22.7 m -70.6 -35.99 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 56' ' ' VAL . 11.7 t -58.01 -40.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -47.06 86.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -73.88 -37.59 64.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.564 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -43.0 -35.66 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.74 -42.75 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . 2.6 mtm180 -69.33 -42.27 75.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -36.22 83.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.8 t -137.56 164.07 29.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 86' ' ' ASN . 5.7 t -69.53 -163.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.494 ' N ' HG23 ' A' ' 85' ' ' THR . 0.4 OUTLIER -160.87 152.11 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.5 p -141.14 -177.69 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -165.47 68.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 89' ' ' VAL . 13.5 p -144.78 106.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.6 t -78.52 156.4 29.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.95 160.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.46 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.61 -76.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -112.63 -164.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.956 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -109.07 104.28 13.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.947 ' O ' HG22 ' A' ' 16' ' ' THR . 16.3 m 69.61 -120.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.947 HG22 ' O ' ' A' ' 15' ' ' THR . 2.0 t 62.53 24.86 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -175.85 105.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.4 OUTLIER -81.07 82.54 6.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.26 143.88 91.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.229 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.41 14.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.858 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.5 -36.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -56.85 -24.75 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -17.08 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 21' ' ' VAL . 5.6 mt -92.59 152.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -72.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.658 HG22 ' HB ' ' A' ' 40' ' ' ILE . 12.1 t -119.18 166.89 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 9.8 p90 -143.92 150.66 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.065 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.471 ' C ' HD13 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -133.52 120.31 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 1.093 HG23 HG12 ' A' ' 37' ' ' VAL . 2.4 mm -106.3 137.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 70.2 p -117.2 161.24 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.44 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.59 -19.67 6.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -68.43 -168.31 4.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 4.6 m -38.92 -31.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.6 mt -65.78 -55.18 18.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 36.56 47.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.47 157.11 47.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 1.093 HG12 HG23 ' A' ' 29' ' ' ILE . 25.5 m -95.86 132.28 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 48' ' ' CYS . 24.1 mm -111.26 120.65 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 17.2 m-85 -106.27 116.74 32.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.658 ' HB ' HG22 ' A' ' 26' ' ' THR . 7.5 mt -100.99 129.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.61 HG22 ' HA ' ' A' ' 24' ' ' ILE . 1.3 p -99.1 165.03 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -17.01 61.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 -18.29 48.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.93 -1.07 59.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 111.39 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 4.8 ptpt -101.92 137.5 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.95 153.99 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.1 p -106.82 139.8 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.892 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -140.51 155.45 46.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.92 131.22 60.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 3.8 5.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -12.35 59.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -84.9 132.72 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.04 -37.98 81.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.56 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 6.6 p-90 -62.46 -35.28 78.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 43.0 t -67.48 -48.06 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -64.77 -33.3 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -44.32 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 63' ' ' MET . 2.7 t -65.64 -37.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.8 -40.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -46.06 92.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.6 t -73.04 -42.95 62.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.473 ' HG2' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -40.85 -36.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -61.12 -47.03 88.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.33 -30.16 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.175 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -36.16 83.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -159.29 153.09 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -111.51 -163.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -168.66 163.85 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 78.9 p -124.75 166.44 16.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.55 98.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.9 p -133.01 121.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -106.43 150.66 25.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 92' ' ' THR . 1.2 tp -101.96 127.36 48.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.534 ' N ' HD12 ' A' ' 91' ' ' LEU . 1.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' SER . 14.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.72 -80.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.52 -163.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 14' ' ' LEU . 17.1 mt -107.5 105.0 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' HG22 ' A' ' 16' ' ' THR . 8.0 m 72.58 -125.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 16' ' ' THR . 0.5 OUTLIER 70.3 19.77 6.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -173.16 111.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.0 85.8 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 138.66 73.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.86 10.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.87 ' HA ' HD12 ' A' ' 24' ' ' ILE . 6.1 p -52.01 -32.42 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -22.88 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.26 -19.93 16.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.3 mt -82.6 145.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' CG ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -96.93 -72.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -131.6 -178.4 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.6 p90 -144.15 153.7 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.18 124.29 24.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.43 137.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.9 p -107.54 163.43 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -117.1 -18.21 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.61 -167.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 p -64.21 -10.19 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 0.703 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.2 tp -82.79 -52.43 6.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.7 ttp180 38.09 76.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.33 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.565 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.0 m -96.63 117.46 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.804 HG21 ' HE2' ' A' ' 46' ' ' LYS . 15.8 mm -96.18 132.64 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' HG12 ' A' ' 47' ' ' VAL . 45.2 m-85 -112.73 118.73 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 mt -101.18 132.91 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 9.6 p -98.95 167.04 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD3' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -56.05 -47.41 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -21.82 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.76 5.99 47.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.84 121.73 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.804 ' HE2' HG21 ' A' ' 38' ' ' ILE . 5.2 ptmt -106.6 136.85 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.217 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 ' H ' ' A' ' 48' ' ' CYS . 4.2 p -126.67 176.1 7.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.611 ' H ' HG22 ' A' ' 47' ' ' VAL . 1.8 m -121.43 151.4 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -152.82 154.64 35.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 130.67 50.95 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -16.2 52.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.59 131.72 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.99 -38.78 76.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.435 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.4 p-90 -59.96 -39.54 85.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.852 ' O ' HG23 ' A' ' 60' ' ' VAL . 24.9 t -67.97 -48.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -61.39 -33.72 74.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.62 -44.07 71.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.415 HG21 ' HZ3' ' A' ' 55' ' ' TRP . 2.4 t -66.36 -36.92 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 56' ' ' VAL . 74.2 t -58.94 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -44.44 87.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' ARG . 2.0 t -73.35 -43.53 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.722 ' SD ' HG23 ' A' ' 21' ' ' VAL . 62.5 mmm -41.4 -33.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.05 -46.96 86.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.43 -29.06 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.12 82.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.54 170.17 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.9 m -140.81 166.96 23.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.58 153.18 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.8 p -135.55 -179.88 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.6 109.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 89' ' ' VAL . 8.8 p -159.56 120.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 91' ' ' LEU . 23.2 m -121.65 152.5 39.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 90' ' ' THR . 0.4 OUTLIER -42.96 161.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.372 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.69 -76.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.66 -163.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 50' ' ' ASP . 6.4 mt -106.51 102.18 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 16' ' ' THR . 2.2 m 70.7 -136.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 80.76 -4.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -140.12 85.89 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -64.62 86.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.229 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 5.4 mp -82.15 141.01 46.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.01 131.19 14.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 HG22 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -52.33 -25.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -64.66 -29.72 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -25.73 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG22 ' CE ' ' A' ' 63' ' ' MET . 12.5 mt -82.61 145.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.68 -77.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.424 ' CG2' HD12 ' A' ' 40' ' ' ILE . 6.3 t -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 16.9 p90 -142.99 161.28 38.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.72 124.54 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.5 mt -110.7 137.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.485 HG21 HD23 ' A' ' 34' ' ' LEU . 38.0 p -101.75 165.87 10.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.18 -20.39 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.02 -166.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -10.56 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -82.45 -52.3 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' THR . 27.5 ttt180 37.82 62.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -121.56 156.47 32.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.62 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -96.6 119.66 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.617 HD13 ' HA ' ' A' ' 48' ' ' CYS . 15.9 mm -98.65 132.56 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -116.94 117.87 30.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.424 HD12 ' CG2' ' A' ' 26' ' ' THR . 6.6 mt -100.04 129.31 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 1.2 p -99.44 166.58 11.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -25.05 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.389 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -19.86 61.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -0.41 57.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -81.14 110.86 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.12 130.59 45.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -124.77 156.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.233 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.617 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.6 p -104.9 151.21 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -148.68 154.35 39.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.8 m-20 -81.85 131.06 58.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.758 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -7.76 59.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -87.18 127.2 35.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -67.29 -39.31 85.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CE2' HG23 ' A' ' 56' ' ' VAL . 4.6 p-90 -62.18 -35.74 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 60' ' ' VAL . 9.0 t -68.2 -47.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -36.38 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.12 -44.28 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.461 HG22 HG23 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -60.62 -36.27 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 56' ' ' VAL . 92.5 t -58.73 -40.88 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.88 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -33.36 67.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.593 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 18.9 tpp -62.05 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 63' ' ' MET . 4.0 t0 -56.41 -31.47 63.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -26.75 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -36.44 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 p -169.9 170.09 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 86' ' ' ASN . 8.4 t -171.82 -162.75 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.422 ' C ' HG23 ' A' ' 87' ' ' THR . 5.3 t-20 174.49 167.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 86' ' ' ASN . 18.0 p -154.17 179.46 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.36 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 89' ' ' VAL . 11.3 p -145.2 109.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 m -146.78 156.46 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 92' ' ' THR . 1.4 tp -112.75 135.09 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 91' ' ' LEU . 43.8 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 7.7 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.35 -84.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -112.27 -163.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' C ' ' A' ' 49' ' ' ALA . 7.8 mt -106.05 104.91 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.641 ' O ' HG22 ' A' ' 16' ' ' THR . 3.6 m 71.73 -131.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.22 12.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.365 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 179.97 106.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 3.2 ttm105 -63.05 84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.751 HD13 ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm? -53.64 142.4 42.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.751 ' HD2' HD13 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.92 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.868 HG21 HG22 ' A' ' 59' ' ' VAL . 69.6 t -51.05 -38.76 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -17.17 7.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -107.84 -15.51 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.854 HD12 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -84.27 142.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -78.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -122.74 175.64 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' ' 63' ' ' MET . 5.6 p90 -144.39 159.79 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -136.42 120.1 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -101.73 133.56 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -97.09 160.5 14.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.21 -20.46 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.69 -172.6 16.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.38 -28.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -63.38 -56.71 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.05 62.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -138.77 155.95 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.8 m -97.09 118.31 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 47' ' ' VAL . 18.1 mm -96.85 131.49 43.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' HB2' HG12 ' A' ' 47' ' ' VAL . 35.8 m-85 -112.18 119.63 39.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.479 HG12 ' CG ' ' A' ' 46' ' ' LYS . 2.9 mt -98.14 127.41 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -99.82 164.91 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.41 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -18.59 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.13 8.97 64.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -80.41 118.71 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.72 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.617 ' N ' HD12 ' A' ' 45' ' ' LEU . 3.1 mtpt -92.33 124.55 36.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -118.11 171.5 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.626 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -124.92 144.08 50.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.227 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.662 ' C ' HD22 ' A' ' 14' ' ' LEU . . . -143.46 154.2 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' HD22 ' A' ' 14' ' ' LEU . 1.3 m-20 -85.68 130.5 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.03 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -7.85 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -88.32 127.56 35.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.601 1.188 . . . . 0.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -70.18 -38.4 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.581 ' HZ3' HG21 ' A' ' 59' ' ' VAL . 4.7 p-90 -60.28 -32.8 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.643 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 63.9 t -65.28 -47.82 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -35.13 77.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -43.78 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.868 HG22 HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -63.04 -36.1 74.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 56' ' ' VAL . 26.4 t -57.27 -40.89 76.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.86 93.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -34.91 64.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -73.54 -48.49 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' N ' ' CG ' ' A' ' 63' ' ' MET . 28.9 t0 -54.36 -45.81 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.068 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -25.55 63.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -36.79 46.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 63' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.86 168.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 86' ' ' ASN . 97.1 m -132.16 171.42 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.468 ' N ' HG22 ' A' ' 85' ' ' THR . 5.5 p-10 -90.28 158.51 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.9 p -135.61 159.86 40.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.3 110.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 89' ' ' VAL . 7.8 p -155.97 114.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.6 m -144.2 151.62 39.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.16 134.41 52.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.85 -91.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -110.03 -163.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.608 HD22 ' C ' ' A' ' 49' ' ' ALA . 10.6 mt -112.63 93.11 4.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 16' ' ' THR . 2.5 m 71.73 -133.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.6 -7.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 6.7 pt20 -146.36 88.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.506 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -54.12 89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD23 ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -68.45 160.64 75.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.559 ' HD2' HD23 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.02 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 1.034 HG21 HG11 ' A' ' 59' ' ' VAL . 92.1 t -51.38 -43.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -17.76 9.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -101.82 0.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.774 HG22 ' HE1' ' A' ' 63' ' ' MET . 64.7 mt -92.12 139.37 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 63' ' ' MET . 3.4 ttpt -93.97 -80.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.823 ' CG2' HD13 ' A' ' 40' ' ' ILE . 3.1 t -122.75 175.37 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 23.2 p90 -145.47 148.92 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.29 119.46 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 37' ' ' VAL . 46.0 mt -111.72 137.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 68.5 p -127.13 178.65 5.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -130.95 -15.17 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -51.49 -171.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 p -48.22 -20.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -87.09 -52.07 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' THR . 19.4 ptt85 35.98 67.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.555 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -138.67 157.79 45.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.732 HG21 HG11 ' A' ' 56' ' ' VAL . 15.7 m -95.17 122.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 4.0 mm -95.52 133.96 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -112.71 117.94 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ILE . . . . . 0.823 HD13 ' CG2' ' A' ' 26' ' ' THR . 3.4 mt -99.23 135.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 p -99.54 164.4 12.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -56.81 -37.15 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.24 -24.21 62.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.69 -0.28 34.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 134.63 35.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.638 0.846 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -115.77 134.77 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -123.37 165.42 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.26 151.6 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.608 ' C ' HD22 ' A' ' 14' ' ' LEU . . . -153.25 157.06 39.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.4 134.96 39.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HB3' HG13 ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.07 1.53 7.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.47 -14.76 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -78.92 123.94 27.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.96 -39.76 79.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 19.3 p-90 -59.54 -42.19 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 60' ' ' VAL . 73.0 t -60.22 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -32.92 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -48.44 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 1.034 HG11 HG21 ' A' ' 21' ' ' VAL . 24.9 m -70.81 -33.22 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 t -56.47 -41.52 72.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -47.72 84.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.4 t -73.66 -47.97 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.774 ' HE1' HG22 ' A' ' 24' ' ' ILE . 52.5 mmm -38.32 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 t70 -57.01 -47.63 80.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.4 ptt85 -72.19 -30.02 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.36 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.4 p 178.98 134.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -142.32 164.2 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 177.96 155.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -129.21 164.11 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.2 99.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.244 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 89' ' ' VAL . 15.0 p -147.72 113.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.0 m -115.74 151.72 34.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 92' ' ' THR . 1.5 tp -109.62 132.5 54.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.583 ' N ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.56 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 76.0 t -75.07 -88.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' SER . . . . . 0.499 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER -117.13 -167.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 48' ' ' CYS . 94.0 mt -91.5 150.47 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER 37.02 -137.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 86.39 9.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 179.97 106.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.61 104.15 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.227 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 7.4 mp -97.6 139.92 21.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.6 Cg_endo -74.97 133.2 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' VAL . . . . . 0.937 HG23 HG22 ' A' ' 59' ' ' VAL . 14.8 t -51.22 -31.7 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.35 -25.23 67.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -27.17 15.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.454 HG22 ' HE1' ' A' ' 63' ' ' MET . 9.2 mt -83.02 142.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -77.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -125.6 174.91 7.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 9.6 p90 -144.51 160.41 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.35 126.74 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -108.3 136.98 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.7 p -107.39 163.92 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.67 -19.77 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.12 -171.36 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -27.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.1 mt -64.37 -56.21 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER 37.39 45.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.36 157.11 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' VAL . . . . . 0.621 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -95.89 130.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 9.6 mm -104.65 132.53 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.506 ' HB2' HG12 ' A' ' 47' ' ' VAL . 20.7 m-85 -116.03 117.73 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.3 mt -98.88 131.04 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 17.2 p -99.38 172.12 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -39.54 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -21.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.36 3.62 47.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -80.15 115.46 19.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 1.5 mtmm -102.11 134.04 46.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -129.73 168.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . 0.59 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -116.62 154.05 31.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.371 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -147.07 154.43 41.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.494 ' CG ' ' CG ' ' A' ' 52' ' ' GLN . 1.6 t0 -80.27 126.44 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -82.81 -20.8 35.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 137.68 38.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -70.25 -37.63 74.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.1 p-90 -59.61 -39.82 85.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 107.925 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG13 ' HZ ' ' A' ' 39' ' ' PHE . 73.6 t -66.25 -48.09 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.35 -34.4 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.71 -44.36 70.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' VAL . . . . . 0.937 HG22 HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -62.88 -36.45 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -46.91 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -73.88 -31.56 63.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' MET . . . . . 0.563 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 13.2 tpp -73.01 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.48 -46.01 73.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 16.9 ptt180 -69.43 -26.43 64.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.628 1.205 . . . . 0.0 110.223 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -80.06 -36.29 35.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' MET . 23.0 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.51 167.9 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.1 m -99.77 163.69 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 -173.68 3.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 44.1 p -128.33 -176.04 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 171.15 90.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.0 124.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -107.83 152.77 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -103.48 130.4 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' THR . . . . . 0.524 ' N ' HD12 ' A' ' 91' ' ' LEU . 45.8 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.4 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.59 140.19 5.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.3 -172.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -73.75 175.92 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLU . 2.7 p 36.58 87.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.48 -7.97 21.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -133.21 -45.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 84.4 178.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 8.7 ttt180 -91.23 -66.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 m -56.69 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -177.98 -154.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.37 -75.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -109.84 -163.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 50' ' ' ASP . 9.7 mt -111.72 97.92 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 16' ' ' THR . 1.6 m 74.58 -137.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.84 -7.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 47' ' ' VAL . 5.6 pt20 -141.4 89.03 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.563 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -70.27 87.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 17' ' ' GLN . 7.1 mp -80.94 142.88 52.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 138.51 23.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.554 1.818 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.831 HG22 HG13 ' A' ' 59' ' ' VAL . 51.5 t -51.93 -31.45 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -62.26 -26.69 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -95.18 -3.64 47.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 21' ' ' VAL . 6.7 mt -107.01 148.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.46 -77.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 3.0 t -120.02 170.77 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 6.4 p90 -140.29 155.59 46.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.75 122.93 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mt -113.42 129.58 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 p -101.67 165.0 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.52 -20.14 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.66 -171.72 5.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.27 -27.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -63.53 -58.81 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 1.5 ttp85 37.39 51.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.27 44.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.625 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 2.1 m -96.67 119.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 48' ' ' CYS . 24.5 mm -99.89 124.43 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CZ ' HG13 ' A' ' 56' ' ' VAL . 19.7 m-85 -111.75 117.92 34.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.441 HD12 ' CG2' ' A' ' 26' ' ' THR . 7.8 mt -100.79 133.08 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 23' ' ' ARG . 3.1 p -99.38 165.61 11.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.43 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -10.51 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 -17.43 32.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.24 -3.25 54.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 117.29 20.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 9' ' ' ARG . 4.8 ptpt -107.32 135.42 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG21 ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -131.87 156.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.423 ' HA ' HD13 ' A' ' 38' ' ' ILE . 7.4 p -108.23 155.01 20.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.625 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -152.27 155.1 37.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.478 ' CG ' HD13 ' A' ' 14' ' ' LEU . 8.4 m-20 -80.44 130.39 65.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.08 -9.27 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -90.24 130.54 36.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.3 m -69.28 -38.13 78.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 1.8 p-90 -60.05 -36.34 77.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 76.9 t -68.01 -48.1 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.64 -44.31 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.831 HG13 HG22 ' A' ' 21' ' ' VAL . 1.7 t -67.22 -37.33 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.65 -40.26 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -45.62 85.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.9 t -70.89 -46.87 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.678 ' HE1' HG22 ' A' ' 24' ' ' ILE . 60.7 mmm -42.07 -41.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 68' ' ' ASN . 14.6 t0 -58.28 -43.71 88.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 16.2 ttt180 -71.23 -33.51 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -67.75 -36.13 79.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.57 39.69 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -69.43 -51.29 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.1 m -113.31 57.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 71' ' ' ASN . 3.2 ttt85 -164.33 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' ND2' ' OG1' ' A' ' 26' ' ' THR . 36.3 t-20 -40.26 -64.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 179.74 67.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.417 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -80.36 50.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 73' ' ' MET . 2.1 pp -151.37 166.93 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -157.95 88.9 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 p -40.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.31 101.08 53.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -93.29 161.69 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -132.94 -111.27 1.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.436 1.085 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.601 HG23 ' N ' ' A' ' 82' ' ' GLN . 8.8 t -156.57 -138.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.601 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -166.08 169.92 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -153.96 161.94 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.3 p -162.9 171.41 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -152.21 162.35 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -139.76 171.32 14.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.0 p -148.83 178.05 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.99 109.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 89' ' ' VAL . 8.1 p -159.58 118.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -117.73 149.23 41.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.09 155.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 t -96.95 134.7 39.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.36 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.09 -158.33 9.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.16 -179.01 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.5 123.94 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 6' ' ' SER . 53.4 t -134.88 158.88 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 82.73 -10.67 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.8 -29.87 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.203 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 169.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.82 -69.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.741 HG21 HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -106.9 -42.43 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 2.5 p -146.63 -157.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.639 1.212 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -110.51 -91.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -163.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.8 mt -108.61 105.14 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.668 ' O ' HG22 ' A' ' 16' ' ' THR . 7.7 m 72.21 -132.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.51 -0.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LEU . 5.1 pt20 -146.31 90.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -65.53 73.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -67.56 144.69 97.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 133.0 16.2 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -51.61 -36.29 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -58.92 -25.69 63.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 -18.04 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 21' ' ' VAL . 8.0 mt -93.02 151.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -72.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 ' HB ' ' A' ' 40' ' ' ILE . 7.1 t -120.66 167.2 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 p90 -138.78 161.17 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.514 ' C ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -144.08 122.49 12.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 110.386 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.0 mp -104.81 137.04 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -102.4 160.56 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.476 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -19.89 8.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.72 -172.33 7.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -25.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -65.74 -57.1 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 37.56 62.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.4 156.54 48.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.542 HG12 HG13 ' A' ' 29' ' ' ILE . 3.5 m -96.16 116.64 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.741 HD12 HG21 ' A' ' 10' ' ' THR . 17.6 mm -94.7 130.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HB2' HG12 ' A' ' 47' ' ' VAL . 42.2 m-85 -111.7 117.3 32.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.629 ' HB ' HG22 ' A' ' 26' ' ' THR . 7.6 mt -103.24 123.95 57.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ILE . 2.2 p -93.84 165.33 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -27.77 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -21.24 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.79 -0.59 52.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -79.7 116.55 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -104.84 137.46 42.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.29 169.53 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.5 m -115.37 153.43 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 108.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.32 155.26 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.36 130.08 55.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -13.24 57.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -82.3 134.14 35.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -69.75 -41.34 75.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.552 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 8.1 p-90 -59.71 -34.12 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.978 ' O ' HG23 ' A' ' 60' ' ' VAL . 33.6 t -67.93 -47.32 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.32 -35.72 81.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -44.16 70.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.764 HG13 HG23 ' A' ' 21' ' ' VAL . 8.6 t -66.8 -37.11 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 56' ' ' VAL . 56.3 t -59.18 -40.48 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -44.72 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -35.1 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.592 ' SD ' HG22 ' A' ' 21' ' ' VAL . 44.4 mmm -52.6 -43.88 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' ASN . 5.8 t0 -69.82 -31.6 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -43.96 80.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -76.66 -28.48 56.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 31.3 t -117.58 43.33 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -69.68 -55.6 9.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 t -39.24 -33.65 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.463 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' ASN . 7.1 ttt180 -38.99 -40.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' MET . 55.8 m-20 -39.41 105.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' ILE . 35.2 m-20 39.67 29.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.606 1.191 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' ASN . 5.0 mmm 69.03 -58.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -141.69 140.0 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.43 62.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.6 m -162.52 139.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -42.13 153.56 0.29 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 137.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.6 p -64.52 178.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.55 -94.18 1.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 82' ' ' GLN . 8.8 t -162.08 -143.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.511 ' N ' HG23 ' A' ' 81' ' ' THR . 1.6 tt0 -141.86 169.18 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.25 157.07 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -178.89 160.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 86' ' ' ASN . 88.1 m -120.66 168.66 11.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.431 ' N ' HG22 ' A' ' 85' ' ' THR . 2.3 p-10 -94.64 167.12 11.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 35.9 p -96.89 -177.08 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.28 107.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.57 124.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -124.28 152.97 42.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -111.21 135.12 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.545 ' N ' HD12 ' A' ' 91' ' ' LEU . 3.6 t -66.43 146.92 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.56 -140.25 36.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.92 -173.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 0.805 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' C ' HG12 ' A' ' 5' ' ' VAL . 41.9 mt-10 -68.06 179.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.454 HG21 ' HG3' ' A' ' 8' ' ' LYS . 2.7 p 42.01 79.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 -11.74 46.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.85 -45.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HG3' HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 78.54 161.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -122.88 -69.01 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.425 HG21 HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -131.87 -44.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.39 -149.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 108.224 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -116.17 -78.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 -163.22 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD13 ' OD1' ' A' ' 50' ' ' ASP . 12.4 mt -114.07 102.49 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.838 ' O ' HG22 ' A' ' 16' ' ' THR . 9.8 m 69.85 -128.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.458 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER 69.94 24.3 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.71 76.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -49.64 99.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.57 145.21 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.04 128.74 11.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.704 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -53.13 -38.66 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -56.8 -32.33 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 6.0 mmt180 -88.64 -14.0 38.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.815 HG22 ' HE1' ' A' ' 63' ' ' MET . 11.0 mt -93.76 143.13 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -77.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -130.93 164.71 24.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 15.8 p90 -131.47 161.26 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.48 123.35 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.9 mt -108.11 136.81 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 68.1 p -106.77 168.49 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 -19.31 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.35 -173.18 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLY . 80.2 p -39.16 -29.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -64.23 -57.9 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.32 48.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.43 156.8 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -96.28 119.43 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 48' ' ' CYS . 23.3 mm -97.38 132.43 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 37' ' ' VAL . 56.1 m-85 -116.21 119.17 34.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.75 132.32 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.3 p -98.03 165.68 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -43.99 74.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HD3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.26 -22.25 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.07 5.23 47.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.53 HD12 ' HD3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -83.57 130.69 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 0.797 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -114.87 167.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.66 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -112.63 139.45 48.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.574 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -136.46 154.03 50.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.766 ' OD1' HD13 ' A' ' 14' ' ' LEU . 2.9 m-20 -86.0 132.33 44.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.7 8.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.408 1.741 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -81.96 -11.36 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.79 132.71 34.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.42 -41.72 72.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.522 ' HZ2' HG23 ' A' ' 15' ' ' THR . 4.7 p-90 -59.74 -33.29 71.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.622 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 74.4 t -68.18 -48.05 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -36.39 80.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -44.28 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.11 -37.42 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 56' ' ' VAL . 8.6 t -59.35 -40.18 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -57.87 -43.41 85.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' ARG . 3.4 t -72.5 -48.73 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.815 ' HE1' HG22 ' A' ' 24' ' ' ILE . 77.1 mmm -42.29 -44.93 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 68' ' ' ASN . 13.2 t0 -58.17 -44.04 87.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.217 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' SER . 4.8 mmt85 -71.01 -37.33 72.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.213 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -64.02 -35.88 82.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 t -128.78 47.84 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.2 m-20 -83.78 -70.09 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.5 mtt180 -59.44 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t30 63.47 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 73' ' ' MET . 67.7 m-80 -96.85 -39.23 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.917 ' O ' HG23 ' A' ' 74' ' ' ILE . 4.2 ptm 26.95 90.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 73' ' ' MET . 2.0 pp -169.54 159.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -128.13 80.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -77.73 104.71 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 81.57 44.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 137.83 22.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.578 1.83 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -108.96 168.55 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.5 95.58 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 82' ' ' GLN . 10.8 m -84.99 -178.46 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.651 ' H ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -160.83 171.21 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -158.35 150.09 21.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 p -150.8 79.29 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.6 p -61.18 128.07 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' C ' HG23 ' A' ' 87' ' ' THR . 3.6 t-20 -101.39 160.03 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 86' ' ' ASN . 65.3 p -150.67 167.78 26.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.471 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.77 75.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.7 p -132.29 111.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -139.93 152.92 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 t -119.87 136.88 54.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 110.375 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.53 137.74 3.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -160.69 -64.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.985 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 3' ' ' SER . 3.8 pt-20 -33.0 102.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.4 OUTLIER -155.48 170.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 88.22 -22.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.74 -30.34 16.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -107.51 -176.82 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 6.7 tpt180 -129.66 -68.27 0.73 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.56 -45.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -117.02 -164.22 0.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 108.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -78.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -112.17 -163.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' OD2' ' A' ' 50' ' ' ASP . 9.1 mt -109.85 101.02 9.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 16' ' ' THR . 2.7 m 73.18 -136.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 81.41 -4.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.2 pt20 -138.65 93.01 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -67.79 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -62.35 139.04 96.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -50.92 -33.2 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -41.35 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.37 14.2 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.483 HG22 ' HE1' ' A' ' 63' ' ' MET . 68.4 mt -116.32 145.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -75.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.16 178.25 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.1 p90 -142.55 154.99 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -132.79 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.715 HG12 HG12 ' A' ' 37' ' ' VAL . 49.0 mt -108.69 136.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.7 p -98.07 164.82 12.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -118.19 -18.57 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.56 -168.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -10.54 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.947 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 36' ' ' ALA . 1.7 tp -84.32 -49.7 8.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 39.61 61.1 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.342 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -119.58 156.52 30.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 49' ' ' ALA . 30.0 m -96.13 131.5 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.652 HD13 ' HA ' ' A' ' 48' ' ' CYS . 10.7 mm -108.78 132.04 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -112.6 117.24 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -98.41 126.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.1 p -91.18 165.18 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -60.32 -33.16 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -23.22 66.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.87 0.79 36.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.03 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -82.06 132.13 35.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 1.03 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.1 ptpt -117.51 126.23 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -120.05 156.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.652 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.5 p -105.57 144.53 32.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -145.29 154.74 42.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.542 ' OD2' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -82.01 135.9 47.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 2.89 6.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.32 -11.35 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -85.85 133.7 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -69.92 -40.98 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE2' HG23 ' A' ' 56' ' ' VAL . 5.4 p-90 -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 108.016 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 55' ' ' TRP . 6.6 t -57.22 -48.46 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -67.2 -33.01 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.07 -46.85 79.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 56' ' ' VAL . 32.9 m -70.03 -36.75 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.22 -40.31 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.79 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -73.41 -39.41 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.483 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.54 -40.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 t0 -57.85 -45.27 86.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -69.93 -39.59 76.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -35.67 81.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -123.91 47.08 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.896 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -66.31 -52.6 45.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.41 -57.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 13.0 ttt85 -54.65 -62.14 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.14 -66.31 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.3 m-20 -172.43 34.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.28 -57.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 pt -140.21 132.15 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.64 63.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 m -57.6 134.8 56.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.74 85.75 1.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 154.76 43.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 m -120.8 164.43 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.82 -117.11 3.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 82' ' ' GLN . 8.9 t -165.23 -144.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.5 ' N ' HG23 ' A' ' 81' ' ' THR . 1.7 tt0 -156.15 173.13 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.92 157.35 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -138.68 149.55 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.8 p -89.26 179.58 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.61 161.62 32.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -145.53 168.89 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.94 108.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.4 p -155.91 118.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -99.13 164.73 12.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.798 ' O ' HG22 ' A' ' 92' ' ' THR . 0.4 OUTLIER -59.25 179.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 91' ' ' LEU . 14.2 t 52.06 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 1' ' ' VAL . 14.2 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.06 -142.15 9.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.9 138.19 49.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.19 174.42 7.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 6' ' ' SER . 17.4 t -120.59 164.1 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 86.39 -17.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 12.9 p-10 -108.43 -52.37 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 7' ' ' ASP . 9.1 ptmt -41.41 -39.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -65.35 -58.53 5.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.2 m -151.56 -78.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -178.23 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 108.255 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.35 -76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 52.0 p -115.52 -163.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.6 mt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.684 ' O ' HG22 ' A' ' 16' ' ' THR . 2.3 m 67.92 -134.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.42 -0.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -137.21 77.63 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.595 ' HA ' ' CH2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -68.41 85.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.782 HD11 HG12 ' A' ' 24' ' ' ILE . 2.3 pt? -92.57 154.2 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.88 20.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.933 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.67 -34.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -19.26 63.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.3 mpt_? -96.23 -11.75 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 21' ' ' VAL . 5.7 mt -97.88 152.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -102.08 -83.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.58 ' CG2' HD12 ' A' ' 40' ' ' ILE . 9.2 t -118.79 177.93 4.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 p90 -143.62 159.54 42.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 123.58 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.51 137.12 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -105.37 170.33 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -19.55 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.646 1.216 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.42 -174.0 18.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -40.2 -29.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -62.67 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 36.43 47.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -122.62 156.39 34.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.3 m -96.62 119.21 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 48' ' ' CYS . 17.2 mm -98.69 119.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 8.5 m-85 -101.87 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.58 HD12 ' CG2' ' A' ' 26' ' ' THR . 3.7 mt -101.48 127.59 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.49 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -99.1 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.3 mtmp? -61.89 -21.21 64.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.222 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -19.24 59.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.66 -1.24 58.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.412 1.07 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD11 HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -80.47 117.51 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.617 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.5 mtmm -104.6 134.21 48.15 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.69 HG23 HD11 ' A' ' 45' ' ' LEU . 2.1 t -133.37 148.64 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.504 ' HA ' HD13 ' A' ' 38' ' ' ILE . 9.7 p -97.05 153.64 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -152.0 155.03 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -80.86 133.46 55.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 35' ' ' ARG . 18.3 Cg_endo -74.99 2.46 6.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -20.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.779 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -71.9 132.45 44.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.511 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 79.5 m -67.22 -37.08 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.595 ' CH2' ' HA ' ' A' ' 18' ' ' ARG . 6.1 p-90 -72.73 -39.07 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.779 ' HB ' ' HB3' ' A' ' 53' ' ' ALA . 39.5 t -61.12 -51.46 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 54' ' ' THR . 8.0 ptt85 -67.64 -32.59 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' THR . 1.2 m-20 -69.74 -41.54 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.874 HG13 HG23 ' A' ' 21' ' ' VAL . 5.9 t -67.22 -37.13 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 56' ' ' VAL . 7.1 t -58.97 -40.54 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -46.34 91.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.25 -39.19 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.491 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -41.29 -32.7 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.07 -45.99 86.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -38.24 71.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -35.27 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.29 37.05 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.55 -53.54 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 69' ' ' THR . 13.4 t -101.32 45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' CG ' ' N ' ' A' ' 71' ' ' ASN . 0.5 OUTLIER -46.05 -44.47 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.462 ' N ' ' CG ' ' A' ' 70' ' ' ARG . 10.8 m-20 50.07 62.55 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' MET . 24.7 m-80 40.27 66.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.681 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.49 -50.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.056 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' MET . 1.0 OUTLIER -159.03 137.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -108.92 61.94 0.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 p -78.82 137.18 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 146.9 33.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.08 161.59 38.29 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 10.0 t -134.41 -164.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.443 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . 162.97 100.6 0.15 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.94 168.59 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.17 147.17 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.31 161.43 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.06 160.07 38.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.0 m -135.18 157.93 45.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -120.05 167.73 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.206 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 55.8 p -120.95 -178.95 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.77 89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 89' ' ' VAL . 7.7 p -124.27 117.08 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.0 m -111.14 148.71 32.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.77 121.86 44.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.42 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 80.6 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 49.63 -179.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.22 -179.92 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.79 142.56 30.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 6' ' ' SER . 93.8 t -151.15 154.65 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.229 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 83.41 -11.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -106.35 -32.21 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 167.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.53 -69.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.92 -48.9 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.382 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 13' ' ' SER . 6.1 p -134.7 -159.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -91.16 -83.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 3.7 t -115.56 -163.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD13 ' OD1' ' A' ' 50' ' ' ASP . 11.9 mt -101.0 105.1 16.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.623 ' O ' HG22 ' A' ' 16' ' ' THR . 2.7 m 76.98 -133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.08 13.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.434 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -176.39 111.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -87.2 79.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.842 HD11 HG12 ' A' ' 24' ' ' ILE . 1.1 pt? -65.26 150.9 95.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.38 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.875 ' HA ' HD12 ' A' ' 24' ' ' ILE . 65.5 t -52.64 -35.39 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -20.23 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.891 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.67 -14.5 22.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 21' ' ' VAL . 30.5 mt -85.92 152.47 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -119.98 -70.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.58 HG22 ' HB ' ' A' ' 40' ' ' ILE . 12.5 t -123.65 163.5 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 p90 -139.39 151.75 46.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -132.72 120.11 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.07 HG23 HG12 ' A' ' 37' ' ' VAL . 1.4 mm -110.6 137.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -110.31 157.78 19.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -22.61 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -149.39 144.91 12.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 2.4 t 85.99 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -119.36 -48.67 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 45.18 30.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 158.21 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.07 HG12 HG23 ' A' ' 29' ' ' ILE . 5.1 m -95.14 132.41 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' A' ' 48' ' ' CYS . 40.9 mm -112.41 111.54 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.461 ' HB2' HG12 ' A' ' 47' ' ' VAL . 3.0 m-85 -92.23 119.21 31.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.58 ' HB ' HG22 ' A' ' 26' ' ' THR . 3.6 mt -105.37 135.1 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.407 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 2.0 p -98.68 165.14 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.47 -17.94 64.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -20.19 56.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.84 8.92 53.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.13 115.88 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 0.811 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 40' ' ' ILE . 52.5 mtpt -92.96 135.7 33.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -133.72 169.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.583 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -123.46 149.96 44.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.51 155.67 36.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.656 ' OD1' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -84.32 131.92 49.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.06 1.95 7.2 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.83 -15.33 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 55' ' ' TRP . . . -79.17 133.39 36.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -70.29 -39.46 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.635 ' CE2' HG23 ' A' ' 56' ' ' VAL . 28.6 p-90 -59.81 -37.83 80.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.635 HG23 ' CE2' ' A' ' 55' ' ' TRP . 4.9 t -65.58 -48.32 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -35.58 80.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.91 -43.97 70.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 21' ' ' VAL . 2.9 t -63.55 -37.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.075 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.69 -40.52 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.208 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.62 -46.33 90.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -73.16 -42.36 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.43 ' HG3' HG12 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.85 -29.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ASN . 8.0 t0 -64.36 -46.73 82.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.1 ptt180 -71.17 -29.6 65.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -36.12 70.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -127.88 45.76 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.1 t-20 -67.96 -62.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.667 ' O ' HG22 ' A' ' 69' ' ' THR . 1.3 m -153.18 67.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.16 -63.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 18.0 m120 -46.05 139.02 4.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' ILE . 3.9 m120 79.32 -54.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.85 ' CG ' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER 63.16 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.85 HG23 ' CG ' ' A' ' 73' ' ' MET . 1.8 pp -131.77 151.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.4 ' C ' HG22 ' A' ' 76' ' ' THR . 45.6 mt-30 -120.1 79.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 75' ' ' GLN . 0.7 OUTLIER 38.7 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.98 158.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.84 23.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.42 1.747 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 80' ' ' GLY . 9.2 m -60.3 176.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 79' ' ' THR . . . -177.37 91.69 0.08 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -89.57 166.73 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.94 -172.66 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.76 147.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 m -107.89 173.87 6.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -114.87 164.11 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.99 163.74 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -110.38 177.72 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.442 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -178.49 90.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.58 125.96 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -67.58 169.91 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.834 HD12 HG23 ' A' ' 92' ' ' THR . 0.6 OUTLIER -109.96 116.83 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.834 HG23 HD12 ' A' ' 91' ' ' LEU . 65.6 p 35.57 -146.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.57 1.168 . . . . 0.0 111.02 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.06 -143.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.69 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.17 128.02 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -149.96 144.47 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m 151.53 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -120.15 -29.86 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.8 OUTLIER -44.2 166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 -68.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.519 HG21 HD12 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -103.43 -54.46 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 13' ' ' SER . 12.0 p -132.86 -153.82 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -100.94 -78.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 4.9 m -118.01 -163.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD13 ' OD2' ' A' ' 50' ' ' ASP . 14.9 mt -104.81 105.06 14.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.739 ' O ' HG22 ' A' ' 16' ' ' THR . 5.0 m 76.1 -131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.72 -1.6 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 2.5 pt20 -155.86 68.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -58.6 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.724 HD11 HG12 ' A' ' 24' ' ' ILE . 2.5 pt? -92.03 154.56 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 141.5 26.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.412 1.743 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.838 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -52.03 -34.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -64.68 -19.8 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 5.5 mpt_? -98.78 10.06 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 21' ' ' VAL . 11.1 mt -118.69 152.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -75.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.82 165.32 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.441 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 8.6 p90 -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.81 119.91 13.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.964 HG23 HG12 ' A' ' 37' ' ' VAL . 1.7 mm -102.0 137.03 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -107.7 160.0 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.437 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.18 -19.78 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.86 -171.02 5.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -26.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 0.745 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.9 mt -65.87 -54.74 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.99 54.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.96 157.25 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.964 HG12 HG23 ' A' ' 29' ' ' ILE . 5.0 m -95.78 124.09 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.519 HD12 HG21 ' A' ' 10' ' ' THR . 35.8 mm -100.24 113.14 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' HB2' HG12 ' A' ' 47' ' ' VAL . 17.1 m-85 -97.73 120.35 37.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.78 139.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 p -98.87 168.84 9.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.34 -16.76 63.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.239 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -17.83 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.2 -0.83 43.87 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 116.47 20.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 0.703 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -105.24 137.56 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -132.4 170.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.4 153.89 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.24 154.89 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD2' HD13 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -85.51 129.2 56.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 3.59 5.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.1 -15.26 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.4 135.7 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -69.9 -41.14 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 18' ' ' ARG . 20.6 p-90 -60.68 -42.01 96.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 59' ' ' VAL . 36.0 t -58.31 -48.8 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -33.11 74.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.34 82.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.384 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 56' ' ' VAL . 33.7 m -69.29 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.07 -41.32 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -45.23 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -73.85 -38.59 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.942 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.549 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 46.7 mmm -43.58 -37.71 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 17.8 t0 -57.79 -40.57 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.3 ttm180 -70.19 -39.56 75.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' CA ' ' HE2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.47 -35.98 77.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 t -130.98 49.98 2.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -84.69 -56.6 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -91.27 -42.88 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -29.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -68.98 -59.09 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -91.06 48.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.56 111.69 23.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.48 173.25 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.37 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -141.7 87.87 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.84 79.51 4.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.03 22.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 9.9 t -155.92 -162.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . 88.62 112.84 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -136.78 175.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.435 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.513 ' N ' ' OG1' ' A' ' 81' ' ' THR . 2.3 tp60 -169.78 143.8 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 84' ' ' SER . 8.0 tp60 -137.28 144.3 42.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER 174.8 155.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -147.33 -164.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.2 p30 -93.77 157.85 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.0 p -127.38 164.27 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.46 99.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 89' ' ' VAL . 12.8 p -147.08 109.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -111.24 129.25 56.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.548 ' N ' HD12 ' A' ' 91' ' ' LEU . 59.2 p -59.68 174.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 66.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.97 170.63 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.92 178.08 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.78 133.88 36.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 p -129.22 161.65 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 88.29 -22.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.7 -40.65 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HE2' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -49.88 -31.82 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.769 HG21 HD12 ' A' ' 38' ' ' ILE . 1.1 m -166.81 -44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 7.6 p -141.76 -159.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.9 t -96.83 -83.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -108.72 -163.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.504 HD13 ' OD1' ' A' ' 50' ' ' ASP . 12.0 mt -108.5 105.23 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.615 ' O ' HG22 ' A' ' 16' ' ' THR . 4.9 m 75.47 -130.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 79.76 18.18 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -176.16 111.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -77.19 81.34 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -72.4 136.96 81.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 62' ' ' SER . 0.6 OUTLIER -51.42 -37.03 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -29.68 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' C ' ' HE3' ' A' ' 42' ' ' LYS . 2.0 mpt_? -88.02 -19.76 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.684 HG22 ' HE1' ' A' ' 63' ' ' MET . 10.7 mt -94.29 150.19 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' HE1' ' A' ' 63' ' ' MET . 0.5 OUTLIER -107.25 -77.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 40' ' ' ILE . 6.2 t -117.87 172.55 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 9.9 p90 -143.99 155.41 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.95 128.6 36.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.86 135.68 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -108.99 165.99 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.85 -20.28 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.14 -171.3 4.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.385 1.053 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.48 -26.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.08 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -64.07 -59.71 4.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.31 55.12 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.96 156.53 47.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.3 m -96.54 118.0 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.769 HD12 HG21 ' A' ' 10' ' ' THR . 21.3 mm -97.0 130.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -109.58 119.3 38.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 26' ' ' THR . 5.3 mt -103.76 127.23 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 24' ' ' ILE . 2.9 p -97.37 164.99 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.35 -30.23 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -20.72 65.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 0.23 55.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.87 112.24 16.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 38' ' ' ILE . 9.5 ptmt -102.81 137.25 41.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -131.46 176.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.623 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.7 m -119.22 154.49 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.334 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.24 154.51 34.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.504 ' OD1' HD13 ' A' ' 14' ' ' LEU . 3.6 m-20 -84.8 128.92 58.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 1.05 8.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -81.81 -11.65 58.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.68 135.84 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -69.36 -40.39 77.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 10.5 p-90 -62.39 -34.22 76.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.853 ' O ' HG23 ' A' ' 60' ' ' VAL . 38.5 t -67.18 -48.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -44.42 70.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.5 t -66.69 -38.0 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.7 t -59.5 -39.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -42.66 97.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.495 ' HB3' HG21 ' A' ' 21' ' ' VAL . 2.6 t -73.19 -44.62 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.684 ' HE1' HG22 ' A' ' 24' ' ' ILE . 69.3 mmm -40.56 -41.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -58.11 -46.13 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -27.99 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.94 71.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t -103.54 36.28 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.74 -63.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 69' ' ' THR . 12.1 t -107.55 50.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -39.27 -43.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -47.56 -61.55 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -98.82 64.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.91 15.14 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.71 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -112.59 -36.1 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.56 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER 36.51 46.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 77' ' ' LYS . 17.7 m -42.97 165.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 76' ' ' THR . 0.0 OUTLIER -140.56 128.62 12.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 162.91 36.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -106.37 -161.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.37 -113.68 2.79 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.462 1.102 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 m -151.48 168.32 25.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.8 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.47 162.71 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 165.85 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 86' ' ' ASN . 98.2 m -137.96 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.407 ' N ' HG22 ' A' ' 85' ' ' THR . 2.0 m-80 -149.56 159.82 43.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.2 p -131.49 -178.86 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.79 115.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.42 123.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.539 HG22 HD23 ' A' ' 91' ' ' LEU . 35.1 m -115.25 152.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 HG22 ' A' ' 90' ' ' THR . 0.5 OUTLIER -42.56 162.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 92' ' ' THR . 28.1 p -65.7 178.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.447 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.59 1.181 . . . . 0.0 110.951 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.86 140.27 11.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -158.1 -65.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 3' ' ' SER . 5.1 pt-20 -32.55 105.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 6' ' ' SER . 2.5 p -145.4 158.71 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.92 -14.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.08 -31.07 10.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' CE ' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -64.08 166.59 7.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -64.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.928 HG22 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -105.22 -76.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 4.8 p -179.26 -171.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.704 HG22 ' N ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -81.78 -90.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.704 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -105.62 -162.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.056 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 48' ' ' CYS . 62.6 mt -105.58 149.92 25.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER 36.88 -138.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.72 -7.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.554 ' NE2' HG21 ' A' ' 47' ' ' VAL . 2.7 pt20 -142.61 82.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 59.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.836 HD11 HG12 ' A' ' 24' ' ' ILE . 1.3 pt? -63.29 151.97 85.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.38 20.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.92 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.76 -36.15 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -24.72 64.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.44 -18.81 27.51 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.6 mt -87.33 148.99 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.621 1.201 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -104.39 -75.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 t -122.04 166.51 14.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.0 p90 -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.16 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.5 mt -111.85 137.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.3 p -111.19 163.56 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -20.12 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.213 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -66.69 -172.2 4.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -42.06 -27.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -64.68 -57.04 10.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.98 52.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -133.9 156.57 47.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 49' ' ' ALA . 33.3 m -96.13 133.19 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.928 HD11 HG22 ' A' ' 10' ' ' THR . 11.9 mm -107.84 132.11 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.46 ' HB2' HG12 ' A' ' 47' ' ' VAL . 25.8 m-85 -115.45 117.72 31.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mt -106.13 128.36 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.599 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -94.0 165.29 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -23.49 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.72 -0.83 39.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.941 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.54 126.07 30.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 0.725 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.941 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.5 ptmt -111.96 137.52 49.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.554 HG21 ' NE2' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -129.76 172.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 47' ' ' VAL . 3.8 m -120.62 138.63 53.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.875 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -136.29 152.61 50.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 132.76 51.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 1.77 7.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -12.84 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 55' ' ' TRP . . . -87.33 134.2 33.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.4 m -70.03 -40.94 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.503 ' CE2' HG23 ' A' ' 56' ' ' VAL . 22.2 p-90 -59.76 -42.67 93.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 108.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.648 ' CG1' HG21 ' A' ' 37' ' ' VAL . 23.4 t -57.78 -48.74 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -67.66 -33.04 74.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -46.59 80.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.599 ' HB ' HG23 ' A' ' 21' ' ' VAL . 33.9 m -69.5 -36.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.2 t -59.11 -40.31 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -46.1 91.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -73.16 -37.5 66.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.621 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -44.63 -46.99 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 5.1 t0 -69.79 -31.83 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -70.37 -48.73 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 67' ' ' SER . 0.3 OUTLIER -71.65 -25.33 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 66' ' ' LYS . 46.9 t -124.1 46.72 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -73.18 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.669 ' O ' HG22 ' A' ' 69' ' ' THR . 1.6 m -144.11 64.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.444 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -40.83 -39.83 1.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -40.99 -53.97 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.532 ' H ' HG22 ' A' ' 69' ' ' THR . 3.3 m-20 -54.14 -55.28 29.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.409 ' HE1' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 70.91 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.409 HG23 ' HE1' ' A' ' 73' ' ' MET . 2.8 pp -150.57 175.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.96 62.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -135.47 179.27 6.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 150.85 37.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.68 26.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -150.2 161.72 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.59 -113.03 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 82' ' ' GLN . 29.7 m -155.34 176.55 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.583 ' H ' HG22 ' A' ' 81' ' ' THR . 1.1 pt20 -55.54 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -128.2 151.88 48.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.5 p -179.73 164.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 86' ' ' ASN . 32.6 m -122.62 171.06 9.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.503 ' N ' HG22 ' A' ' 85' ' ' THR . 5.1 p30 -88.71 168.72 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.0 p -100.38 175.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.28 99.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.95 123.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.0 m -119.37 150.94 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 92' ' ' THR . 0.9 OUTLIER -107.07 158.27 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.752 ' H ' HD12 ' A' ' 91' ' ' LEU . 8.9 t 47.41 -173.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.436 ' N ' ' OG1' ' A' ' 92' ' ' THR . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.66 154.05 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.73 178.68 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 0.83 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.3 150.59 25.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' SER . 69.4 t -146.49 144.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.51 -13.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' LYS . 64.4 m-20 -120.26 -42.9 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 39.28 -154.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -54.84 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.612 HG22 HD11 ' A' ' 38' ' ' ILE . 8.6 m -111.32 -76.11 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER 179.53 -161.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 63.5 t -100.67 -83.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 24.6 p -109.31 -164.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.945 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.4 pp -114.44 106.98 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.6 m 83.74 -136.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 83.52 -8.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.452 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' HD23 ' A' ' 19' ' ' LEU . 5.7 pt20 -152.56 100.57 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 1.1 ttm180 -81.87 117.06 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -115.84 160.06 36.6 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 136.38 20.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.842 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.35 -35.53 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -58.39 -35.7 72.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -21.82 57.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 21' ' ' VAL . 4.5 mt -87.93 149.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -131.51 168.76 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.731 ' CE2' HG13 ' A' ' 60' ' ' VAL . 9.0 p90 -144.06 156.14 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.82 121.72 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.504 HG12 HG12 ' A' ' 37' ' ' VAL . 57.2 mt -100.84 137.24 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -107.07 160.48 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.35 -20.31 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.81 -173.03 8.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.145 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -39.46 -29.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.942 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.2 mt -63.96 -55.4 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.3 ttt-85 37.71 53.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.06 156.28 48.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 2.1 m -96.54 127.07 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.612 HD11 HG22 ' A' ' 10' ' ' THR . 5.2 mm -98.77 130.38 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 6.1 m-85 -110.68 116.73 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -104.15 130.57 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.0 p -99.04 167.17 10.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -34.64 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -23.47 66.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.56 0.0 42.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.45 116.39 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 2.3 ptpt -104.84 136.68 43.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.413 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -132.54 168.66 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 7.9 m -108.32 156.94 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -153.63 155.57 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' HB2' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -85.07 130.73 51.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 1.28 7.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.81 -16.32 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -79.37 132.09 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.87 -42.59 73.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.686 ' CE2' HG23 ' A' ' 56' ' ' VAL . 30.9 p-90 -59.71 -43.99 93.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.808 ' O ' HG23 ' A' ' 60' ' ' VAL . 16.3 t -58.03 -48.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -33.52 74.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.18 -46.47 83.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 56' ' ' VAL . 20.4 m -69.48 -36.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 56' ' ' VAL . 34.7 t -59.24 -40.59 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.56 89.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.39 -39.81 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.638 ' HE3' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -43.34 -42.42 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.469 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 1.2 t0 -58.37 -40.88 83.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.9 ttt180 -71.29 -43.82 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -35.95 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -123.52 46.87 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 0.0 110.049 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.2 t-20 -73.51 -61.32 1.87 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 m -96.1 19.41 11.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -124.07 -0.53 8.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' O ' ' O ' ' A' ' 70' ' ' ARG . 8.0 t-20 -58.99 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ILE . 29.5 m120 -70.75 56.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.526 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 1.0 OUTLIER 63.39 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -134.7 138.47 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.1 58.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.6 p 40.2 -161.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 118.46 4.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 146.73 32.95 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 10.2 t -74.4 -165.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . -138.52 -115.74 1.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.599 HG22 ' H ' ' A' ' 82' ' ' GLN . 28.4 m -140.56 177.1 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.741 . . . . 0.0 110.439 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.599 ' H ' HG22 ' A' ' 81' ' ' THR . 2.1 tt0 -134.69 137.31 43.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.1 162.95 16.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 170.52 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 86' ' ' ASN . 2.2 t -139.76 177.36 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' N ' ' OG1' ' A' ' 85' ' ' THR . 3.1 t-20 -160.72 163.39 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.6 p -146.26 177.03 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.16 108.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.4 p -161.02 119.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.607 HG22 HD23 ' A' ' 91' ' ' LEU . 25.7 m -103.56 152.65 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 90' ' ' THR . 0.7 OUTLIER -42.56 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.379 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -105.04 171.09 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 2' ' ' GLY . 19.5 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 1' ' ' VAL . . . -116.67 -150.06 9.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.48 128.27 35.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.1 63.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -22.7 42.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.725 ' OD2' HG21 ' A' ' 28' ' ' THR . 6.6 m-20 -80.45 -31.17 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -132.01 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 48' ' ' CYS . 26.6 m -159.78 -101.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 18.1 p -179.53 -146.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -88.55 -84.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -118.31 -163.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 15' ' ' THR . 12.6 mt -114.63 95.04 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.3 m 77.94 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 82.22 -5.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.417 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 11.7 pt20 -142.1 87.93 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NE ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -69.26 60.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.059 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.668 HD11 HG12 ' A' ' 24' ' ' ILE . 2.2 pt? -57.8 155.47 22.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.16 30.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.534 1.807 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.706 HG22 HG13 ' A' ' 59' ' ' VAL . 59.6 t -59.4 -29.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -39.25 87.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.6 1.188 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -85.0 0.68 50.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.668 HG12 HD11 ' A' ' 19' ' ' LEU . 96.5 mt -100.52 144.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 26' ' ' THR . 12.6 tppt? -96.85 -87.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.471 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 14.8 t -127.55 -176.79 3.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.702 ' CE2' HG13 ' A' ' 60' ' ' VAL . 9.0 p90 -144.12 160.69 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.725 HG21 ' OD2' ' A' ' 7' ' ' ASP . 0.8 OUTLIER -142.31 126.19 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.672 HG12 HG12 ' A' ' 37' ' ' VAL . 27.5 mt -109.44 137.31 42.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.57 1.169 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 p -109.01 164.47 12.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -19.04 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -69.18 -173.29 9.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' GLY . 93.6 p -39.49 -29.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 0.719 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.1 mt -62.76 -56.43 17.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.11 46.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.78 158.04 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 49' ' ' ALA . 34.2 m -94.87 132.6 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 47' ' ' VAL . 15.7 mm -107.27 124.84 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' O ' HG12 ' A' ' 47' ' ' VAL . 1.4 m-85 -106.58 117.43 34.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 2.0 mt -95.8 142.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.538 HG22 ' CD1' ' A' ' 19' ' ' LEU . 12.8 p -99.49 170.79 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -63.89 -39.66 94.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -22.67 58.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.26 40.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.72 126.38 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HE2' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -92.44 127.62 37.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -120.8 170.69 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 10' ' ' THR . 5.1 m -121.7 150.63 41.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.704 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.39 146.5 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.63 137.25 44.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.81 6.23 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -13.23 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 129.45 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -70.23 -39.7 74.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.654 ' NE1' HG23 ' A' ' 56' ' ' VAL . 7.6 p-90 -59.77 -42.91 94.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 60' ' ' VAL . 19.7 t -63.7 -47.73 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 37.3 mtm180 -63.44 -34.56 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -44.11 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.706 HG13 HG22 ' A' ' 21' ' ' VAL . 35.7 t -65.49 -36.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.7 t -58.75 -40.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.195 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -47.46 85.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -73.79 -39.54 64.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.603 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.5 -41.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 4.5 t70 -57.88 -46.33 85.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 mtt-85 -71.4 -44.9 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.58 1.175 . . . . 0.0 110.25 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.29 74.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.53 39.32 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.2 m-20 -69.55 -48.61 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.636 ' O ' HG22 ' A' ' 69' ' ' THR . 1.3 m -140.6 73.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -167.03 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -40.11 -60.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -53.43 -50.26 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.9 -70.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.35 -179.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -135.12 79.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -100.5 157.4 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 113.9 8.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.58 32.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 80' ' ' GLY . 92.2 m -114.57 174.04 6.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.368 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 79' ' ' THR . . . -165.35 72.62 0.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m -97.04 164.88 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 175.52 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.98 162.09 34.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.62 155.94 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.3 m -127.23 167.53 15.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -142.26 160.87 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -131.49 -179.92 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.08 85.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.94 127.0 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -127.99 151.8 48.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.63 HD12 ' H ' ' A' ' 93' ' ' GLY . 1.5 tp -109.8 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 t -126.55 1.66 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' GLY . . . . . 0.63 ' H ' HD12 ' A' ' 91' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 152.71 143.8 3.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.5 OUTLIER 164.17 -28.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' SER . 0.0 OUTLIER 53.5 171.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.926 HG13 ' HB3' ' A' ' 8' ' ' LYS . 25.5 t -140.76 78.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -14.74 15.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.85 -45.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.926 ' HB3' HG13 ' A' ' 5' ' ' VAL . 7.9 pttp 44.94 -166.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -128.16 -67.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.734 HG21 HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -159.72 -44.16 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 110.474 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.2 p -128.18 -150.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -101.76 -77.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m -118.22 -162.54 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 14' ' ' LEU . 14.6 mt -108.69 104.18 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 16' ' ' THR . 10.1 m 70.9 -127.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 75.43 22.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -175.12 110.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 93.86 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -86.78 135.65 35.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.19 -31.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.95 75.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -6.18 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 21' ' ' VAL . 18.5 mt -99.0 139.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.24 -75.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.13 176.44 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.755 ' CE2' HG13 ' A' ' 60' ' ' VAL . 5.5 p90 -144.16 157.76 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.79 120.47 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -110.93 134.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -112.32 172.44 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -24.73 5.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -166.17 0.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' ARG . 2.9 mt -68.33 -57.14 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.197 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 tpt85 37.16 35.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.253 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 156.83 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.546 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.4 m -96.52 126.08 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 10' ' ' THR . 10.1 mm -97.24 131.96 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CD2' HD13 ' A' ' 24' ' ' ILE . 4.7 m-85 -114.14 117.82 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' ILE . 3.4 mt -101.55 135.05 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 p -99.18 167.26 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' NZ ' ' HG2' ' A' ' 25' ' ' LYS . 60.2 mmtt -57.05 -50.26 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -21.3 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 10.08 35.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.84 123.15 28.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.829 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.2 ptmt -107.73 136.92 46.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -133.57 175.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.46 ' H ' HG22 ' A' ' 47' ' ' VAL . 2.4 m -116.15 152.99 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -153.06 154.84 35.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.208 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 135.73 40.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.17 6.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -13.3 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -80.22 128.83 33.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -70.08 -44.61 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.485 ' CE2' HG23 ' A' ' 56' ' ' VAL . 16.0 p-90 -59.86 -44.09 94.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 39' ' ' PHE . 63.8 t -57.58 -48.31 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -67.25 -33.1 74.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -46.87 78.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 56' ' ' VAL . 34.1 m -69.88 -36.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.755 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.6 t -58.08 -40.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.67 84.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -34.53 63.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.94 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.574 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -48.26 -42.55 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.486 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 1.7 t70 -70.49 -31.77 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -48.71 62.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.82 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -116.59 43.49 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.486 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -79.42 -63.66 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.66 ' O ' HG22 ' A' ' 69' ' ' THR . 7.3 m -151.67 45.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.558 ' NE ' ' H ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -40.08 -59.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.558 ' H ' ' NE ' ' A' ' 70' ' ' ARG . 4.4 t-20 67.98 -69.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ARG . 81.6 m-20 -74.59 -66.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.88 170.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.85 169.19 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.49 66.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -48.17 127.43 12.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.19 119.67 27.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.65 19.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.421 1.748 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -101.59 160.73 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.29 -103.23 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 82' ' ' GLN . 21.0 m -145.83 175.41 10.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 110.428 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' H ' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -135.48 151.74 50.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.2 162.54 39.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.7 p -171.47 157.75 4.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 86' ' ' ASN . 5.9 t -148.57 -163.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.483 ' N ' HG23 ' A' ' 85' ' ' THR . 1.4 t30 178.51 167.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.6 p -127.12 168.23 14.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.95 100.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' VAL . 10.8 p -144.23 120.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.614 1.196 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -127.52 154.11 45.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -104.66 131.32 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 91' ' ' LEU . 1.3 t -77.03 155.07 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.83 155.59 53.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.15 -179.85 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.55 163.22 0.68 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 5' ' ' VAL . 67.9 t -137.34 58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -25.19 67.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.8 m-20 -78.82 -42.14 28.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' CA ' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 38.88 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' ASP . 3.4 tpt180 -54.57 -66.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.784 HG22 ' SG ' ' A' ' 48' ' ' CYS . 84.8 m -37.64 -52.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 p -178.4 -148.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -68.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.198 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -118.13 -163.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 14' ' ' LEU . 10.7 mt -113.45 100.22 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 16' ' ' THR . 6.1 m 73.16 -129.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 74.83 2.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.6 pt20 -149.73 87.66 1.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -60.82 81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -75.34 146.52 81.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 131.28 14.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.949 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -51.6 -38.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -57.09 -42.69 81.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 7.6 mmt-85 -74.99 -5.32 43.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.949 HD12 ' HA ' ' A' ' 21' ' ' VAL . 14.1 mt -102.34 147.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.93 -75.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 40' ' ' ILE . 5.4 t -125.29 173.3 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.528 ' CE2' HG13 ' A' ' 60' ' ' VAL . 8.2 p90 -144.26 157.45 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -134.73 119.77 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.593 HG12 HG12 ' A' ' 37' ' ' VAL . 17.4 mt -102.72 137.94 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 16.7 p -115.57 161.09 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -119.92 -23.07 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -64.73 -169.32 1.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -41.23 -28.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 0.733 . . . . 0.0 110.032 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.8 mt -65.39 -55.9 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' NE ' ' OE2' ' A' ' 31' ' ' GLU . 0.4 OUTLIER 37.06 49.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.35 157.49 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 49' ' ' ALA . 28.4 m -95.38 132.79 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.568 ' CD1' ' CG2' ' A' ' 10' ' ' THR . 3.3 mm -105.0 133.07 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.756 ' CD2' HD13 ' A' ' 24' ' ' ILE . 4.5 m-85 -116.62 117.3 29.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.518 HD13 ' HD2' ' A' ' 46' ' ' LYS . 9.5 mt -102.37 130.68 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -98.83 165.29 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.24 69.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -21.51 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.02 1.59 48.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.58 128.46 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HD2' HD13 ' A' ' 40' ' ' ILE . 1.2 mtmm -112.09 137.24 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.71 171.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.784 ' SG ' HG22 ' A' ' 10' ' ' THR . 2.0 m -119.13 152.49 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 108.252 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.21 155.12 36.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.41 132.66 55.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 2.22 6.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.581 1.832 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.51 -13.74 57.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -82.22 127.83 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 58' ' ' ASP . 2.3 m -69.75 -42.32 74.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.577 ' CZ2' ' HG2' ' A' ' 18' ' ' ARG . 8.0 p-90 -59.97 -38.91 83.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 1.002 ' O ' HG23 ' A' ' 60' ' ' VAL . 75.3 t -64.68 -48.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 2.3 mtp-105 -67.29 -33.57 75.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 5.3 t70 -63.92 -46.03 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 56' ' ' VAL . 31.2 m -70.58 -34.13 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 56' ' ' VAL . 47.7 t -56.35 -41.73 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.39 -31.72 69.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.598 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 1.3 t -75.54 -41.03 56.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.479 ' HE1' HG22 ' A' ' 24' ' ' ILE . 81.6 mmm -39.94 -46.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.543 ' O ' ' ND2' ' A' ' 68' ' ' ASN . 2.6 t0 -58.23 -45.87 86.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.36 -34.04 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.53 -36.01 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -108.47 38.76 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.543 ' ND2' ' O ' ' A' ' 64' ' ' ASP . 0.4 OUTLIER -113.09 -63.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -48.73 -31.45 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -50.18 -24.57 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ARG . 3.7 m-20 -40.27 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 74' ' ' ILE . 20.2 m120 -131.33 13.28 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.487 ' CG ' ' C ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER 38.72 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.981 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.7 pt -143.36 170.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.86 80.66 1.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.1 p -44.21 143.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.12 161.49 52.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.64 42.2 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.541 1.811 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -42.41 163.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.24 95.75 0.91 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.549 HG22 ' H ' ' A' ' 82' ' ' GLN . 7.1 m -104.8 177.04 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 110.435 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.549 ' H ' HG22 ' A' ' 81' ' ' THR . 2.6 mt-30 -93.22 164.5 13.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.38 156.47 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.1 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.5 p -70.97 120.66 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -63.37 161.87 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -85.66 171.59 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -168.54 83.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.42 122.25 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -139.47 152.13 46.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 92' ' ' THR . 1.3 tp -105.74 135.36 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 91' ' ' LEU . 9.1 p -95.81 167.66 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 0.0 111.057 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.09 140.13 2.29 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER 175.58 178.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.4 tt0 36.96 31.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 4' ' ' GLU . 71.4 t -157.6 150.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.17 -12.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.032 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.88 -15.21 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -169.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.13 -69.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.495 HG21 HD12 ' A' ' 38' ' ' ILE . 1.3 m -116.14 -51.72 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 2.4 p -129.59 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.272 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.81 HG22 ' N ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -107.98 -95.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.81 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -95.79 -164.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 50' ' ' ASP . 8.6 mt -106.08 103.68 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 m 78.41 -138.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.75 -5.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.93 75.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -66.99 74.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.771 HD11 HG12 ' A' ' 24' ' ' ILE . 2.6 pt? -76.75 154.5 83.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 135.77 19.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.873 ' HA ' HD12 ' A' ' 24' ' ' ILE . 1.5 p -51.14 -38.12 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -57.13 -27.95 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -88.35 -12.24 43.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.1 mt -96.33 150.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -103.42 -85.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.473 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 6.4 t -116.78 170.94 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 13.1 p90 -143.44 161.16 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.0 119.89 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -104.32 137.19 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -109.31 163.04 13.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -20.58 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.52 -172.35 11.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 m -39.13 -30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -61.81 -59.12 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.9 ttt180 37.21 55.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.37 156.33 48.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.572 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.5 m -96.53 122.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 10' ' ' THR . 19.1 mm -97.22 131.85 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CZ ' HG13 ' A' ' 56' ' ' VAL . 26.3 m-85 -118.35 117.58 29.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mt -103.67 127.29 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 4.6 p -95.73 165.73 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.4 mtmp? -59.1 -37.14 76.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.31 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.04 3.41 54.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.181 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.86 122.05 26.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 6.6 ptmt -108.79 136.88 47.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -133.43 169.22 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 13' ' ' SER . 20.0 p -120.44 140.86 50.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.572 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -137.77 155.28 49.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CG ' HD13 ' A' ' 14' ' ' LEU . 2.9 m-20 -82.42 134.56 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 3.38 5.68 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -16.1 53.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.15 132.27 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -70.7 -39.9 73.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 22.9 p-90 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 60' ' ' VAL . 53.7 t -57.86 -47.66 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.18 76.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 56' ' ' VAL . 22.7 m -70.6 -35.99 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 56' ' ' VAL . 11.7 t -58.01 -40.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -47.06 86.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -73.88 -37.59 64.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.564 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -43.0 -35.66 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.74 -42.75 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . 2.6 mtm180 -69.33 -42.27 75.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -36.22 83.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.33 35.37 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -68.89 -53.1 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -111.51 57.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.25 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.473 ' ND2' ' OG1' ' A' ' 26' ' ' THR . 22.6 t-20 -48.85 -61.89 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -61.25 -54.38 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 51.7 82.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -131.14 155.83 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.063 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -153.39 74.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 76' ' ' THR . 6.0 t -152.26 80.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -41.19 158.38 0.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.28 41.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -122.18 164.69 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.79 97.03 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 82' ' ' GLN . 32.6 m -97.55 175.68 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' H ' HG22 ' A' ' 81' ' ' THR . 2.0 tt0 -155.21 167.96 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -94.14 153.45 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.8 t -137.56 164.07 29.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 86' ' ' ASN . 5.7 t -69.53 -163.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.494 ' N ' HG23 ' A' ' 85' ' ' THR . 0.4 OUTLIER -160.87 152.11 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.5 p -141.14 -177.69 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -165.47 68.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 89' ' ' VAL . 13.5 p -144.78 106.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.6 t -78.52 156.4 29.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.95 160.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.8 p -64.73 172.8 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.093 . . . . 0.0 110.959 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.99 -153.9 12.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.78 177.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.17 127.09 38.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.221 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 8' ' ' LYS . 78.6 t -134.74 83.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -10.66 12.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -124.3 -43.51 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.567 ' HB3' HG13 ' A' ' 5' ' ' VAL . 5.8 ptpp? 46.64 -162.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -126.16 -68.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -129.21 -42.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 p -136.22 -167.29 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 108.257 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.61 -76.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -112.63 -164.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.956 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -109.07 104.28 13.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.947 ' O ' HG22 ' A' ' 16' ' ' THR . 16.3 m 69.61 -120.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.947 HG22 ' O ' ' A' ' 15' ' ' THR . 2.0 t 62.53 24.86 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -175.85 105.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.4 OUTLIER -81.07 82.54 6.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.26 143.88 91.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.229 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.41 14.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.858 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.5 -36.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -56.85 -24.75 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -17.08 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 21' ' ' VAL . 5.6 mt -92.59 152.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -72.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.658 HG22 ' HB ' ' A' ' 40' ' ' ILE . 12.1 t -119.18 166.89 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 9.8 p90 -143.92 150.66 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.065 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.471 ' C ' HD13 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -133.52 120.31 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 1.093 HG23 HG12 ' A' ' 37' ' ' VAL . 2.4 mm -106.3 137.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 70.2 p -117.2 161.24 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.44 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.59 -19.67 6.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -68.43 -168.31 4.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 4.6 m -38.92 -31.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.6 mt -65.78 -55.18 18.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 36.56 47.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.47 157.11 47.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 1.093 HG12 HG23 ' A' ' 29' ' ' ILE . 25.5 m -95.86 132.28 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 48' ' ' CYS . 24.1 mm -111.26 120.65 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 17.2 m-85 -106.27 116.74 32.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.658 ' HB ' HG22 ' A' ' 26' ' ' THR . 7.5 mt -100.99 129.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.61 HG22 ' HA ' ' A' ' 24' ' ' ILE . 1.3 p -99.1 165.03 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -17.01 61.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 -18.29 48.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.93 -1.07 59.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 111.39 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 4.8 ptpt -101.92 137.5 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.95 153.99 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.1 p -106.82 139.8 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.892 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -140.51 155.45 46.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.92 131.22 60.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 3.8 5.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -12.35 59.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -84.9 132.72 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.04 -37.98 81.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.56 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 6.6 p-90 -62.46 -35.28 78.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 43.0 t -67.48 -48.06 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -64.77 -33.3 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -44.32 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 63' ' ' MET . 2.7 t -65.64 -37.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.8 -40.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -46.06 92.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.6 t -73.04 -42.95 62.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.473 ' HG2' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -40.85 -36.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -61.12 -47.03 88.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.33 -30.16 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.175 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -36.16 83.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -124.54 47.77 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -96.65 -52.57 3.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 73' ' ' MET . 1.1 t -46.99 -24.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.351 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.82 68.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASN . 5.2 m-20 -55.39 110.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 73' ' ' MET . 60.0 m-80 39.39 48.57 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' MET . . . . . 1.022 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.78 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 1.022 HG23 ' O ' ' A' ' 73' ' ' MET . 0.7 OUTLIER 170.02 163.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 2.8 pt20 -95.64 75.37 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 t -46.26 132.15 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -145.37 130.84 9.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 141.27 26.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.9 p -55.59 174.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.34 -104.71 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 82' ' ' GLN . 8.8 t -132.73 -139.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.57 ' N ' HG23 ' A' ' 81' ' ' THR . 2.0 tt0 -163.96 171.03 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.69 161.24 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -159.29 153.09 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -111.51 -163.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -168.66 163.85 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 78.9 p -124.75 166.44 16.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.55 98.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.9 p -133.01 121.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -106.43 150.66 25.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 92' ' ' THR . 1.2 tp -101.96 127.36 48.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.534 ' N ' HD12 ' A' ' 91' ' ' LEU . 1.3 t -44.54 144.4 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 48.24 -160.97 0.52 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.562 1.164 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -133.5 178.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.75 156.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' SER . 32.2 t -147.34 156.83 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 86.39 -17.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.018 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -102.84 -17.4 15.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -71.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' NH1' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.08 -72.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -167.75 -42.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' SER . 14.3 p -130.71 -157.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.72 -80.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.52 -163.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 14' ' ' LEU . 17.1 mt -107.5 105.0 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' HG22 ' A' ' 16' ' ' THR . 8.0 m 72.58 -125.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 16' ' ' THR . 0.5 OUTLIER 70.3 19.77 6.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -173.16 111.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.0 85.8 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 138.66 73.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.86 10.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.87 ' HA ' HD12 ' A' ' 24' ' ' ILE . 6.1 p -52.01 -32.42 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -22.88 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.26 -19.93 16.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.3 mt -82.6 145.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' CG ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -96.93 -72.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -131.6 -178.4 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.6 p90 -144.15 153.7 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.18 124.29 24.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.43 137.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.9 p -107.54 163.43 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -117.1 -18.21 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.61 -167.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 p -64.21 -10.19 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 0.703 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD13 ' NH1' ' A' ' 9' ' ' ARG . 1.2 tp -82.79 -52.43 6.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.7 ttp180 38.09 76.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.33 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.565 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.0 m -96.63 117.46 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.804 HG21 ' HE2' ' A' ' 46' ' ' LYS . 15.8 mm -96.18 132.64 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' HG12 ' A' ' 47' ' ' VAL . 45.2 m-85 -112.73 118.73 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 mt -101.18 132.91 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 9.6 p -98.95 167.04 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD3' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -56.05 -47.41 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -21.82 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.76 5.99 47.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.84 121.73 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.804 ' HE2' HG21 ' A' ' 38' ' ' ILE . 5.2 ptmt -106.6 136.85 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.217 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 ' H ' ' A' ' 48' ' ' CYS . 4.2 p -126.67 176.1 7.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.611 ' H ' HG22 ' A' ' 47' ' ' VAL . 1.8 m -121.43 151.4 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -152.82 154.64 35.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 130.67 50.95 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -16.2 52.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.59 131.72 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.99 -38.78 76.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.435 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.4 p-90 -59.96 -39.54 85.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.852 ' O ' HG23 ' A' ' 60' ' ' VAL . 24.9 t -67.97 -48.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -61.39 -33.72 74.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.62 -44.07 71.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.415 HG21 ' HZ3' ' A' ' 55' ' ' TRP . 2.4 t -66.36 -36.92 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 56' ' ' VAL . 74.2 t -58.94 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -44.44 87.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' ARG . 2.0 t -73.35 -43.53 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.722 ' SD ' HG23 ' A' ' 21' ' ' VAL . 62.5 mmm -41.4 -33.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.05 -46.96 86.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.43 -29.06 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.12 82.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 t -115.49 41.37 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.9 -52.65 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -87.07 -38.3 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.412 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -49.97 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 31.9 t-20 -40.22 147.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 2.1 t-20 77.88 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.533 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 4.4 tpt 36.51 92.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -122.33 -172.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 37.86 58.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 t -39.0 136.13 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -61.67 155.64 59.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 142.76 27.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 80' ' ' GLY . 94.7 m -71.67 174.05 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 79' ' ' THR . . . -94.14 -112.84 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 9.3 t -161.58 -148.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.455 ' N ' ' OG1' ' A' ' 81' ' ' THR . 1.3 tt0 -167.82 168.71 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -139.76 161.03 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.54 170.17 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.9 m -140.81 166.96 23.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.58 153.18 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.8 p -135.55 -179.88 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.6 109.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 89' ' ' VAL . 8.8 p -159.56 120.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 91' ' ' LEU . 23.2 m -121.65 152.5 39.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 90' ' ' THR . 0.4 OUTLIER -42.96 161.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.6 p -66.0 178.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.372 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.31 -139.19 14.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.16 -167.66 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 0.763 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -50.94 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.673 HG13 ' N ' ' A' ' 6' ' ' SER . 0.4 OUTLIER 70.49 -179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.673 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER 89.24 -24.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.595 1.185 . . . . 0.0 109.954 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -108.53 -36.66 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt 64.32 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.238 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tpt180 -129.9 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.24 -49.74 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -109.65 -174.35 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 108.255 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 6' ' ' SER . 94.4 t -94.69 -76.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.66 -163.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 50' ' ' ASP . 6.4 mt -106.51 102.18 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 16' ' ' THR . 2.2 m 70.7 -136.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 80.76 -4.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -140.12 85.89 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -64.62 86.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.229 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 5.4 mp -82.15 141.01 46.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.01 131.19 14.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 HG22 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -52.33 -25.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -64.66 -29.72 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -25.73 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG22 ' CE ' ' A' ' 63' ' ' MET . 12.5 mt -82.61 145.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.68 -77.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.424 ' CG2' HD12 ' A' ' 40' ' ' ILE . 6.3 t -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 16.9 p90 -142.99 161.28 38.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.72 124.54 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.5 mt -110.7 137.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.485 HG21 HD23 ' A' ' 34' ' ' LEU . 38.0 p -101.75 165.87 10.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.18 -20.39 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.02 -166.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -10.56 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -82.45 -52.3 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' THR . 27.5 ttt180 37.82 62.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -121.56 156.47 32.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.62 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -96.6 119.66 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.617 HD13 ' HA ' ' A' ' 48' ' ' CYS . 15.9 mm -98.65 132.56 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -116.94 117.87 30.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.424 HD12 ' CG2' ' A' ' 26' ' ' THR . 6.6 mt -100.04 129.31 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 1.2 p -99.44 166.58 11.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -25.05 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.389 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -19.86 61.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -0.41 57.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -81.14 110.86 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.12 130.59 45.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -124.77 156.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.233 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.617 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.6 p -104.9 151.21 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -148.68 154.35 39.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.8 m-20 -81.85 131.06 58.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.758 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -7.76 59.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -87.18 127.2 35.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -67.29 -39.31 85.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CE2' HG23 ' A' ' 56' ' ' VAL . 4.6 p-90 -62.18 -35.74 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 60' ' ' VAL . 9.0 t -68.2 -47.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -36.38 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.12 -44.28 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG22 HG23 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -60.62 -36.27 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 56' ' ' VAL . 92.5 t -58.73 -40.88 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.88 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -33.36 67.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.593 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 18.9 tpp -62.05 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 63' ' ' MET . 4.0 t0 -56.41 -31.47 63.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -26.75 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -36.44 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t -113.86 41.34 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.7 t -51.06 -38.49 51.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -60.52 -54.4 45.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.5 m120 -39.34 150.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.7 m-20 81.62 -55.55 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.247 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 1.1 tpt 58.7 138.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.756 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -133.18 -165.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -119.22 62.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.6 m 51.38 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -45.91 158.22 0.37 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 8.9 t -167.75 -163.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . -108.1 65.06 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 0.1 OUTLIER -46.18 172.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' N ' ' OG1' ' A' ' 81' ' ' THR . 3.6 mt-30 -132.07 144.7 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -166.89 152.57 7.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 p -169.9 170.09 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 86' ' ' ASN . 8.4 t -171.82 -162.75 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.422 ' C ' HG23 ' A' ' 87' ' ' THR . 5.3 t-20 174.49 167.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 86' ' ' ASN . 18.0 p -154.17 179.46 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.36 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 89' ' ' VAL . 11.3 p -145.2 109.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 m -146.78 156.46 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 92' ' ' THR . 1.4 tp -112.75 135.09 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 91' ' ' LEU . 43.8 p -53.96 147.75 11.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.38 171.6 14.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.78 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 172.83 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.59 HG23 ' C ' ' A' ' 8' ' ' LYS . 7.1 p 40.55 58.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.84 39.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.88 -50.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.59 ' C ' HG23 ' A' ' 5' ' ' VAL . 4.1 ptpp? -172.94 -163.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.46 -68.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.425 HG21 HD12 ' A' ' 38' ' ' ILE . 1.3 m -112.95 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 7.7 p -128.53 -158.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.35 -84.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -112.27 -163.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' C ' ' A' ' 49' ' ' ALA . 7.8 mt -106.05 104.91 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.641 ' O ' HG22 ' A' ' 16' ' ' THR . 3.6 m 71.73 -131.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.22 12.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.365 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 179.97 106.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 3.2 ttm105 -63.05 84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.751 HD13 ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm? -53.64 142.4 42.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.751 ' HD2' HD13 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.92 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.868 HG21 HG22 ' A' ' 59' ' ' VAL . 69.6 t -51.05 -38.76 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -17.17 7.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -107.84 -15.51 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.854 HD12 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -84.27 142.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -78.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -122.74 175.64 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' ' 63' ' ' MET . 5.6 p90 -144.39 159.79 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -136.42 120.1 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -101.73 133.56 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -97.09 160.5 14.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.21 -20.46 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.69 -172.6 16.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.38 -28.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -63.38 -56.71 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.05 62.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -138.77 155.95 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.8 m -97.09 118.31 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 47' ' ' VAL . 18.1 mm -96.85 131.49 43.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' HB2' HG12 ' A' ' 47' ' ' VAL . 35.8 m-85 -112.18 119.63 39.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.479 HG12 ' CG ' ' A' ' 46' ' ' LYS . 2.9 mt -98.14 127.41 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -99.82 164.91 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.41 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -18.59 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.13 8.97 64.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -80.41 118.71 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.72 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.617 ' N ' HD12 ' A' ' 45' ' ' LEU . 3.1 mtpt -92.33 124.55 36.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -118.11 171.5 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.626 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -124.92 144.08 50.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.227 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.662 ' C ' HD22 ' A' ' 14' ' ' LEU . . . -143.46 154.2 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' HD22 ' A' ' 14' ' ' LEU . 1.3 m-20 -85.68 130.5 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.03 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -7.85 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -88.32 127.56 35.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.601 1.188 . . . . 0.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -70.18 -38.4 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.581 ' HZ3' HG21 ' A' ' 59' ' ' VAL . 4.7 p-90 -60.28 -32.8 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.643 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 63.9 t -65.28 -47.82 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -35.13 77.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -43.78 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.868 HG22 HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -63.04 -36.1 74.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 56' ' ' VAL . 26.4 t -57.27 -40.89 76.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.86 93.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -34.91 64.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -73.54 -48.49 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' N ' ' CG ' ' A' ' 63' ' ' MET . 28.9 t0 -54.36 -45.81 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.068 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -25.55 63.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -36.79 46.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -91.16 31.08 1.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.49 -69.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 8.4 t -103.79 46.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -36.5 -57.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' ASN . 4.8 m120 48.82 58.54 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' MET . 7.0 m120 39.85 69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.397 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.53 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -34.36 -55.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 73' ' ' MET . 1.1 pt -154.7 147.93 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' HG23 ' A' ' 76' ' ' THR . 1.6 mt-30 -150.69 63.3 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.449 HG23 ' C ' ' A' ' 75' ' ' GLN . 72.9 p -152.73 171.59 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 74.23 3.28 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 146.07 32.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 80' ' ' GLY . 7.3 m -149.12 172.18 15.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLY . . . . . 0.41 ' H ' HG22 ' A' ' 79' ' ' THR . . . 178.08 74.26 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.5 p -57.08 164.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.754 . . . . 0.0 110.439 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -166.89 131.96 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -165.5 156.5 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.86 168.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 86' ' ' ASN . 97.1 m -132.16 171.42 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.468 ' N ' HG22 ' A' ' 85' ' ' THR . 5.5 p-10 -90.28 158.51 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.9 p -135.61 159.86 40.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.3 110.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 89' ' ' VAL . 7.8 p -155.97 114.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.6 m -144.2 151.62 39.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.16 134.41 52.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 t -90.28 150.06 22.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.39 -161.43 12.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.33 153.57 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.25 135.13 34.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 6' ' ' SER . 1.4 p -143.92 -177.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.622 ' H ' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER 81.12 -7.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -16.48 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt85 -104.42 -69.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.735 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.7 m -121.33 -39.39 2.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.735 ' SG ' HG22 ' A' ' 10' ' ' THR . 1.9 m -142.26 -146.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.85 -91.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -110.03 -163.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.608 HD22 ' C ' ' A' ' 49' ' ' ALA . 10.6 mt -112.63 93.11 4.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 16' ' ' THR . 2.5 m 71.73 -133.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.6 -7.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 6.7 pt20 -146.36 88.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.506 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -54.12 89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD23 ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -68.45 160.64 75.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.559 ' HD2' HD23 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.02 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 1.034 HG21 HG11 ' A' ' 59' ' ' VAL . 92.1 t -51.38 -43.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -17.76 9.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -101.82 0.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.774 HG22 ' HE1' ' A' ' 63' ' ' MET . 64.7 mt -92.12 139.37 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 63' ' ' MET . 3.4 ttpt -93.97 -80.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.823 ' CG2' HD13 ' A' ' 40' ' ' ILE . 3.1 t -122.75 175.37 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 23.2 p90 -145.47 148.92 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.29 119.46 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 37' ' ' VAL . 46.0 mt -111.72 137.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 68.5 p -127.13 178.65 5.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -130.95 -15.17 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -51.49 -171.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 p -48.22 -20.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -87.09 -52.07 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' THR . 19.4 ptt85 35.98 67.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.555 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -138.67 157.79 45.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.732 HG21 HG11 ' A' ' 56' ' ' VAL . 15.7 m -95.17 122.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 4.0 mm -95.52 133.96 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -112.71 117.94 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ILE . . . . . 0.823 HD13 ' CG2' ' A' ' 26' ' ' THR . 3.4 mt -99.23 135.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 p -99.54 164.4 12.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -56.81 -37.15 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.24 -24.21 62.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.69 -0.28 34.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 134.63 35.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.638 0.846 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -115.77 134.77 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -123.37 165.42 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.26 151.6 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.608 ' C ' HD22 ' A' ' 14' ' ' LEU . . . -153.25 157.06 39.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.4 134.96 39.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HB3' HG13 ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.07 1.53 7.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.47 -14.76 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -78.92 123.94 27.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.96 -39.76 79.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 19.3 p-90 -59.54 -42.19 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 60' ' ' VAL . 73.0 t -60.22 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -32.92 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -48.44 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 1.034 HG11 HG21 ' A' ' 21' ' ' VAL . 24.9 m -70.81 -33.22 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 t -56.47 -41.52 72.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -47.72 84.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.4 t -73.66 -47.97 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.774 ' HE1' HG22 ' A' ' 24' ' ' ILE . 52.5 mmm -38.32 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 t70 -57.01 -47.63 80.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.4 ptt85 -72.19 -30.02 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.36 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -99.68 34.4 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.66 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 69' ' ' THR . 91.8 m -146.77 35.49 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.418 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -53.29 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 13.3 m-20 -36.91 152.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' ' 71' ' ' ASN . 4.0 m-20 67.49 -58.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 63.59 -73.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.563 HG23 ' HG3' ' A' ' 73' ' ' MET . 1.2 pp -140.74 159.27 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' LYS . 38.5 mt-30 -102.66 68.81 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' GLN . 21.2 p 37.08 -97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER 47.27 68.92 3.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 158.2 42.71 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 m -54.04 169.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.55 -65.11 1.58 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.615 HG23 ' N ' ' A' ' 82' ' ' GLN . 9.8 t -163.29 -139.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.725 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.615 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -142.57 123.32 14.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.06 156.61 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.4 p 178.98 134.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -142.32 164.2 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 177.96 155.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -129.21 164.11 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.2 99.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.244 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 89' ' ' VAL . 15.0 p -147.72 113.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.0 m -115.74 151.72 34.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 92' ' ' THR . 1.5 tp -109.62 132.5 54.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.583 ' N ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -148.72 144.2 26.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.415 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.12 157.58 29.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 169.07 17.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' C ' HG12 ' A' ' 5' ' ' VAL . 10.1 mm-40 -78.05 148.31 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.431 HG23 ' HG2' ' A' ' 8' ' ' LYS . 2.2 p 40.98 82.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.28 -11.36 12.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -129.53 -44.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HG2' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -74.35 176.46 6.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -128.0 -68.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.493 ' CG2' HD11 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -123.65 -38.02 2.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER 161.73 167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.56 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 76.0 t -75.07 -88.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.499 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER -117.13 -167.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 48' ' ' CYS . 94.0 mt -91.5 150.47 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER 37.02 -137.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 86.39 9.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 179.97 106.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.61 104.15 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.227 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 7.4 mp -97.6 139.92 21.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.6 Cg_endo -74.97 133.2 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' VAL . . . . . 0.937 HG23 HG22 ' A' ' 59' ' ' VAL . 14.8 t -51.22 -31.7 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.35 -25.23 67.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -27.17 15.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.454 HG22 ' HE1' ' A' ' 63' ' ' MET . 9.2 mt -83.02 142.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -77.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -125.6 174.91 7.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 9.6 p90 -144.51 160.41 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.35 126.74 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -108.3 136.98 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.7 p -107.39 163.92 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.67 -19.77 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.12 -171.36 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -27.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.1 mt -64.37 -56.21 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER 37.39 45.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.36 157.11 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' VAL . . . . . 0.621 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -95.89 130.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ILE . . . . . 0.493 HD11 ' CG2' ' A' ' 10' ' ' THR . 9.6 mm -104.65 132.53 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.506 ' HB2' HG12 ' A' ' 47' ' ' VAL . 20.7 m-85 -116.03 117.73 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.3 mt -98.88 131.04 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 17.2 p -99.38 172.12 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -39.54 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -21.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.36 3.62 47.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -80.15 115.46 19.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 1.5 mtmm -102.11 134.04 46.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -129.73 168.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . 0.59 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -116.62 154.05 31.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.371 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -147.07 154.43 41.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' CG ' ' CG ' ' A' ' 52' ' ' GLN . 1.6 t0 -80.27 126.44 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -82.81 -20.8 35.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 137.68 38.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -70.25 -37.63 74.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.1 p-90 -59.61 -39.82 85.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 107.925 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG13 ' HZ ' ' A' ' 39' ' ' PHE . 73.6 t -66.25 -48.09 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.35 -34.4 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.71 -44.36 70.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' VAL . . . . . 0.937 HG22 HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -62.88 -36.45 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -46.91 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -73.88 -31.56 63.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' MET . . . . . 0.563 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 13.2 tpp -73.01 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.0 t0 -54.48 -46.01 73.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 16.9 ptt180 -69.43 -26.43 64.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.628 1.205 . . . . 0.0 110.223 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -80.06 -36.29 35.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' MET . 23.0 t -128.12 50.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -78.06 -53.47 7.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 t -88.52 -44.34 10.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.354 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.92 -37.99 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.49 -58.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 171.6 72.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' MET . . . . . 0.4 ' HG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -45.04 -28.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ILE . . . . . 0.595 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -81.97 132.27 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -145.96 72.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.8 m -44.07 125.28 4.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 149.49 42.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.58 37.0 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.514 1.797 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 172.18 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.29 65.73 0.28 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.52 HG22 ' H ' ' A' ' 82' ' ' GLN . 17.8 m -61.5 175.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.52 ' H ' HG22 ' A' ' 81' ' ' THR . 1.8 tt0 -131.99 164.1 26.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -119.79 156.1 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.51 167.9 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.1 m -99.77 163.69 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 -173.68 3.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 44.1 p -128.33 -176.04 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 171.15 90.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.0 124.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -107.83 152.77 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -103.48 130.4 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' THR . . . . . 0.524 ' N ' HD12 ' A' ' 91' ' ' LEU . 45.8 p -51.89 157.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.312 -0.995 . . . . 0.0 108.312 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.37 -75.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -109.84 -163.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 50' ' ' ASP . 9.7 mt -111.72 97.92 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 16' ' ' THR . 1.6 m 74.58 -137.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.84 -7.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 47' ' ' VAL . 5.6 pt20 -141.4 89.03 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.563 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -70.27 87.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 17' ' ' GLN . 7.1 mp -80.94 142.88 52.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 138.51 23.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.554 1.818 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.831 HG22 HG13 ' A' ' 59' ' ' VAL . 51.5 t -51.93 -31.45 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -62.26 -26.69 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -95.18 -3.64 47.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 21' ' ' VAL . 6.7 mt -107.01 148.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.46 -77.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.441 ' CG2' HD12 ' A' ' 40' ' ' ILE . 3.0 t -120.02 170.77 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 6.4 p90 -140.29 155.59 46.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.75 122.93 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mt -113.42 129.58 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 p -101.67 165.0 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.52 -20.14 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.66 -171.72 5.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.27 -27.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -63.53 -58.81 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 1.5 ttp85 37.39 51.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.27 44.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.625 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 2.1 m -96.67 119.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 48' ' ' CYS . 24.5 mm -99.89 124.43 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CZ ' HG13 ' A' ' 56' ' ' VAL . 19.7 m-85 -111.75 117.92 34.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.441 HD12 ' CG2' ' A' ' 26' ' ' THR . 7.8 mt -100.79 133.08 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 23' ' ' ARG . 3.1 p -99.38 165.61 11.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.43 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -10.51 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 -17.43 32.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.24 -3.25 54.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 117.29 20.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 4.8 ptpt -107.32 135.42 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.464 HG21 ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -131.87 156.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.423 ' HA ' HD13 ' A' ' 38' ' ' ILE . 7.4 p -108.23 155.01 20.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.625 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -152.27 155.1 37.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.478 ' CG ' HD13 ' A' ' 14' ' ' LEU . 8.4 m-20 -80.44 130.39 65.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.08 -9.27 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -90.24 130.54 36.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.3 m -69.28 -38.13 78.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 1.8 p-90 -60.05 -36.34 77.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 76.9 t -68.01 -48.1 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.64 -44.31 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.831 HG13 HG22 ' A' ' 21' ' ' VAL . 1.7 t -67.22 -37.33 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.65 -40.26 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -45.62 85.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.9 t -70.89 -46.87 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.678 ' HE1' HG22 ' A' ' 24' ' ' ILE . 60.7 mmm -42.07 -41.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 14.6 t0 -58.28 -43.71 88.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 16.2 ttt180 -71.23 -33.51 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -67.75 -36.13 79.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.3 p -162.9 171.41 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -152.21 162.35 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -139.76 171.32 14.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.0 p -148.83 178.05 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.99 109.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 89' ' ' VAL . 8.1 p -159.58 118.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -117.73 149.23 41.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.09 155.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.36 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 2.5 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.256 -1.016 . . . . 0.0 108.256 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.43 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -110.51 -91.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -163.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.8 mt -108.61 105.14 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.668 ' O ' HG22 ' A' ' 16' ' ' THR . 7.7 m 72.21 -132.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.51 -0.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LEU . 5.1 pt20 -146.31 90.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -65.53 73.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -67.56 144.69 97.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 133.0 16.2 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -51.61 -36.29 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -58.92 -25.69 63.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 -18.04 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 21' ' ' VAL . 8.0 mt -93.02 151.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -72.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 ' HB ' ' A' ' 40' ' ' ILE . 7.1 t -120.66 167.2 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 p90 -138.78 161.17 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.514 ' C ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -144.08 122.49 12.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 110.386 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.0 mp -104.81 137.04 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -102.4 160.56 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.476 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -19.89 8.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.72 -172.33 7.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -25.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -65.74 -57.1 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 37.56 62.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.4 156.54 48.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.542 HG12 HG13 ' A' ' 29' ' ' ILE . 3.5 m -96.16 116.64 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.427 HD13 ' HA ' ' A' ' 48' ' ' CYS . 17.6 mm -94.7 130.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HB2' HG12 ' A' ' 47' ' ' VAL . 42.2 m-85 -111.7 117.3 32.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.629 ' HB ' HG22 ' A' ' 26' ' ' THR . 7.6 mt -103.24 123.95 57.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ILE . 2.2 p -93.84 165.33 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -27.77 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -21.24 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.79 -0.59 52.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -79.7 116.55 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.576 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -104.84 137.46 42.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.472 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.29 169.53 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.427 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.5 m -115.37 153.43 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 108.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.32 155.26 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.36 130.08 55.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -13.24 57.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -82.3 134.14 35.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -69.75 -41.34 75.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.552 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 8.1 p-90 -59.71 -34.12 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.978 ' O ' HG23 ' A' ' 60' ' ' VAL . 33.6 t -67.93 -47.32 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.32 -35.72 81.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -44.16 70.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.764 HG13 HG23 ' A' ' 21' ' ' VAL . 8.6 t -66.8 -37.11 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 56' ' ' VAL . 56.3 t -59.18 -40.48 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -44.72 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -35.1 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.592 ' SD ' HG22 ' A' ' 21' ' ' VAL . 44.4 mmm -52.6 -43.88 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.8 t0 -69.82 -31.6 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -43.96 80.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -76.66 -28.48 56.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 31.3 t . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.91 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -178.89 160.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 86' ' ' ASN . 88.1 m -120.66 168.66 11.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.431 ' N ' HG22 ' A' ' 85' ' ' THR . 2.1 p30 -94.64 167.12 11.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 35.9 p -96.89 -177.08 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.28 107.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.57 124.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -124.28 152.97 42.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -111.21 135.12 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.545 ' N ' HD12 ' A' ' 91' ' ' LEU . 3.6 t . . . . . 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -116.17 -78.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 -163.22 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.766 HD13 ' OD1' ' A' ' 50' ' ' ASP . 12.4 mt -114.07 102.49 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.838 ' O ' HG22 ' A' ' 16' ' ' THR . 9.8 m 69.85 -128.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.458 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER 69.94 24.3 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.71 76.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -49.64 99.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.57 145.21 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.04 128.74 11.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.704 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -53.13 -38.66 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -56.8 -32.33 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 6.0 mmt180 -88.64 -14.0 38.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.815 HG22 ' HE1' ' A' ' 63' ' ' MET . 11.0 mt -93.76 143.13 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -77.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -130.93 164.71 24.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 15.8 p90 -131.47 161.26 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.48 123.35 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.9 mt -108.11 136.81 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 68.1 p -106.77 168.49 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 -19.31 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.35 -173.18 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLY . 80.2 p -39.16 -29.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -64.23 -57.9 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.32 48.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.43 156.8 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -96.28 119.43 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 48' ' ' CYS . 23.3 mm -97.38 132.43 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 37' ' ' VAL . 56.1 m-85 -116.21 119.17 34.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.75 132.32 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.3 p -98.03 165.68 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -43.99 74.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HD3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.26 -22.25 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.07 5.23 47.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.53 HD12 ' HD3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -83.57 130.69 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 0.797 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -114.87 167.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.66 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -112.63 139.45 48.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.574 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -136.46 154.03 50.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.766 ' OD1' HD13 ' A' ' 14' ' ' LEU . 2.9 m-20 -86.0 132.33 44.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.7 8.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.408 1.741 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -81.96 -11.36 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.79 132.71 34.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.42 -41.72 72.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.522 ' HZ2' HG23 ' A' ' 15' ' ' THR . 4.7 p-90 -59.74 -33.29 71.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.622 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 74.4 t -68.18 -48.05 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -36.39 80.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -44.28 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.11 -37.42 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 56' ' ' VAL . 8.6 t -59.35 -40.18 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -57.87 -43.41 85.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' ARG . 3.4 t -72.5 -48.73 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.815 ' HE1' HG22 ' A' ' 24' ' ' ILE . 77.1 mmm -42.29 -44.93 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -58.17 -44.04 87.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.217 . . . . 0.0 109.315 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' SER . 4.8 mmt85 -71.01 -37.33 72.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.213 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -64.02 -35.88 82.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.949 -179.987 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.352 -0.24 . . . . 0.0 110.352 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 p -150.8 79.29 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.6 p -61.18 128.07 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.414 ' C ' HG23 ' A' ' 87' ' ' THR . 3.6 t-20 -101.39 160.03 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 86' ' ' ASN . 65.3 p -150.67 167.78 26.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.471 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.77 75.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.7 p -132.29 111.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -139.93 152.92 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 110.375 179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.29 -1.004 . . . . 0.0 108.29 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -78.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -112.17 -163.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' OD2' ' A' ' 50' ' ' ASP . 9.1 mt -109.85 101.02 9.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 16' ' ' THR . 2.7 m 73.18 -136.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 81.41 -4.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.2 pt20 -138.65 93.01 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -67.79 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -62.35 139.04 96.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -50.92 -33.2 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -41.35 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.37 14.2 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.483 HG22 ' HE1' ' A' ' 63' ' ' MET . 68.4 mt -116.32 145.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -75.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.16 178.25 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.1 p90 -142.55 154.99 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -132.79 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.715 HG12 HG12 ' A' ' 37' ' ' VAL . 49.0 mt -108.69 136.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.7 p -98.07 164.82 12.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -118.19 -18.57 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.56 -168.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -10.54 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.947 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 36' ' ' ALA . 1.7 tp -84.32 -49.7 8.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 39.61 61.1 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.342 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -119.58 156.52 30.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 49' ' ' ALA . 30.0 m -96.13 131.5 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.652 HD13 ' HA ' ' A' ' 48' ' ' CYS . 10.7 mm -108.78 132.04 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -112.6 117.24 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -98.41 126.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.1 p -91.18 165.18 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -60.32 -33.16 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -23.22 66.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.87 0.79 36.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.03 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -82.06 132.13 35.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 1.03 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.1 ptpt -117.51 126.23 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -120.05 156.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.652 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.5 p -105.57 144.53 32.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -145.29 154.74 42.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.542 ' OD2' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -82.01 135.9 47.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 2.89 6.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.32 -11.35 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -85.85 133.7 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -69.92 -40.98 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE2' HG23 ' A' ' 56' ' ' VAL . 5.4 p-90 -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 108.016 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 55' ' ' TRP . 6.6 t -57.22 -48.46 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -67.2 -33.01 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.07 -46.85 79.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 56' ' ' VAL . 32.9 m -70.03 -36.75 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.22 -40.31 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.79 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -73.41 -39.41 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.483 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.54 -40.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -57.85 -45.27 86.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -69.93 -39.59 76.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -35.67 81.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.896 -179.918 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 110.258 -0.275 . . . . 0.0 110.258 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -138.68 149.55 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.8 p -89.26 179.58 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.61 161.62 32.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -145.53 168.89 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.94 108.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.4 p -155.91 118.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -99.13 164.73 12.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.798 ' O ' HG22 ' A' ' 92' ' ' THR . 0.4 OUTLIER -59.25 179.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 91' ' ' LEU . 14.2 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.35 -76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 52.0 p -115.52 -163.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.6 mt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.684 ' O ' HG22 ' A' ' 16' ' ' THR . 2.3 m 67.92 -134.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.42 -0.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -137.21 77.63 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.595 ' HA ' ' CH2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -68.41 85.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.782 HD11 HG12 ' A' ' 24' ' ' ILE . 2.3 pt? -92.57 154.2 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.88 20.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.933 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.67 -34.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -19.26 63.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.3 mpt_? -96.23 -11.75 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 21' ' ' VAL . 5.7 mt -97.88 152.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -102.08 -83.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.58 ' CG2' HD12 ' A' ' 40' ' ' ILE . 9.2 t -118.79 177.93 4.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 p90 -143.62 159.54 42.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 123.58 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.51 137.12 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -105.37 170.33 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -19.55 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.646 1.216 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.42 -174.0 18.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -40.2 -29.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -62.67 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 36.43 47.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -122.62 156.39 34.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.3 m -96.62 119.21 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 48' ' ' CYS . 17.2 mm -98.69 119.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 8.5 m-85 -101.87 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.58 HD12 ' CG2' ' A' ' 26' ' ' THR . 3.7 mt -101.48 127.59 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.49 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -99.1 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.3 mtmp? -61.89 -21.21 64.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.222 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -19.24 59.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.66 -1.24 58.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.412 1.07 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.69 HD11 HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -80.47 117.51 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.617 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.5 mtmm -104.6 134.21 48.15 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.69 HG23 HD11 ' A' ' 45' ' ' LEU . 2.1 t -133.37 148.64 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.504 ' HA ' HD13 ' A' ' 38' ' ' ILE . 9.7 p -97.05 153.64 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -152.0 155.03 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -80.86 133.46 55.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 35' ' ' ARG . 18.3 Cg_endo -74.99 2.46 6.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -20.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.779 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -71.9 132.45 44.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.511 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 79.5 m -67.22 -37.08 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.595 ' CH2' ' HA ' ' A' ' 18' ' ' ARG . 6.1 p-90 -72.73 -39.07 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.779 ' HB ' ' HB3' ' A' ' 53' ' ' ALA . 39.5 t -61.12 -51.46 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 54' ' ' THR . 8.0 ptt85 -67.64 -32.59 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' THR . 1.2 m-20 -69.74 -41.54 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.874 HG13 HG23 ' A' ' 21' ' ' VAL . 5.9 t -67.22 -37.13 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 56' ' ' VAL . 7.1 t -58.97 -40.54 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -46.34 91.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.25 -39.19 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.491 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -41.29 -32.7 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.07 -45.99 86.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -38.24 71.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -35.27 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.06 160.07 38.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.0 m -135.18 157.93 45.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -120.05 167.73 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.206 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 55.8 p -120.95 -178.95 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.77 89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 89' ' ' VAL . 7.7 p -124.27 117.08 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.0 m -111.14 148.71 32.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.77 121.86 44.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 13' ' ' SER . 6.1 p . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -91.16 -83.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 3.7 t -115.56 -163.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.656 HD13 ' OD1' ' A' ' 50' ' ' ASP . 11.9 mt -101.0 105.1 16.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.623 ' O ' HG22 ' A' ' 16' ' ' THR . 2.7 m 76.98 -133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.08 13.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.434 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -176.39 111.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -87.2 79.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.842 HD11 HG12 ' A' ' 24' ' ' ILE . 1.1 pt? -65.26 150.9 95.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.38 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.875 ' HA ' HD12 ' A' ' 24' ' ' ILE . 65.5 t -52.64 -35.39 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -20.23 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.891 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.67 -14.5 22.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 21' ' ' VAL . 30.5 mt -85.92 152.47 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -119.98 -70.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.58 HG22 ' HB ' ' A' ' 40' ' ' ILE . 12.5 t -123.65 163.5 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 p90 -139.39 151.75 46.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -132.72 120.11 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.07 HG23 HG12 ' A' ' 37' ' ' VAL . 1.4 mm -110.6 137.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -110.31 157.78 19.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -22.61 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -149.39 144.91 12.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 2.4 t 85.99 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -119.36 -48.67 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 45.18 30.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 158.21 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.07 HG12 HG23 ' A' ' 29' ' ' ILE . 5.1 m -95.14 132.41 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' A' ' 48' ' ' CYS . 40.9 mm -112.41 111.54 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.461 ' HB2' HG12 ' A' ' 47' ' ' VAL . 3.0 m-85 -92.23 119.21 31.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.58 ' HB ' HG22 ' A' ' 26' ' ' THR . 3.6 mt -105.37 135.1 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.407 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 2.0 p -98.68 165.14 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.47 -17.94 64.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -20.19 56.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.84 8.92 53.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.13 115.88 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 0.811 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 40' ' ' ILE . 52.5 mtpt -92.96 135.7 33.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -133.72 169.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.583 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -123.46 149.96 44.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.51 155.67 36.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.656 ' OD1' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -84.32 131.92 49.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.06 1.95 7.2 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.83 -15.33 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 55' ' ' TRP . . . -79.17 133.39 36.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -70.29 -39.46 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.635 ' CE2' HG23 ' A' ' 56' ' ' VAL . 28.6 p-90 -59.81 -37.83 80.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.635 HG23 ' CE2' ' A' ' 55' ' ' TRP . 4.9 t -65.58 -48.32 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -35.58 80.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.91 -43.97 70.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 21' ' ' VAL . 2.9 t -63.55 -37.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.075 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.69 -40.52 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.208 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.62 -46.33 90.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -73.16 -42.36 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.43 ' HG3' HG12 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.85 -29.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 8.0 t0 -64.36 -46.73 82.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.1 ptt180 -71.17 -29.6 65.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -36.12 70.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.998 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.452 -0.356 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 m -107.89 173.87 6.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -114.87 164.11 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.99 163.74 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -110.38 177.72 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.442 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -178.49 90.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.58 125.96 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -67.58 169.91 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.834 HD12 HG23 ' A' ' 92' ' ' THR . 0.6 OUTLIER -109.96 116.83 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.834 HG23 HD12 ' A' ' 91' ' ' LEU . 65.6 p . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 13' ' ' SER . 12.0 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -100.94 -78.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 4.9 m -118.01 -163.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.446 HD13 ' OD2' ' A' ' 50' ' ' ASP . 14.9 mt -104.81 105.06 14.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.739 ' O ' HG22 ' A' ' 16' ' ' THR . 5.0 m 76.1 -131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.72 -1.6 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 2.5 pt20 -155.86 68.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -58.6 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.724 HD11 HG12 ' A' ' 24' ' ' ILE . 2.5 pt? -92.03 154.56 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 141.5 26.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.412 1.743 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.838 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -52.03 -34.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -64.68 -19.8 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.481 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 5.5 mpt_? -98.78 10.06 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 21' ' ' VAL . 11.1 mt -118.69 152.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -75.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.82 165.32 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.441 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 8.6 p90 -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.81 119.91 13.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.964 HG23 HG12 ' A' ' 37' ' ' VAL . 1.7 mm -102.0 137.03 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -107.7 160.0 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.437 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.18 -19.78 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.86 -171.02 5.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -26.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 0.745 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.9 mt -65.87 -54.74 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.99 54.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.96 157.25 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.964 HG12 HG23 ' A' ' 29' ' ' ILE . 5.0 m -95.78 124.09 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.423 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 35.8 mm -100.24 113.14 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.402 ' HB2' HG12 ' A' ' 47' ' ' VAL . 17.1 m-85 -97.73 120.35 37.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.78 139.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 p -98.87 168.84 9.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.34 -16.76 63.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.239 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -17.83 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.2 -0.83 43.87 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 116.47 20.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 0.703 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -105.24 137.56 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -132.4 170.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.4 153.89 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.24 154.89 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD2' HD13 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -85.51 129.2 56.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 3.59 5.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.1 -15.26 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.4 135.7 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -69.9 -41.14 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 18' ' ' ARG . 20.6 p-90 -60.68 -42.01 96.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 59' ' ' VAL . 36.0 t -58.31 -48.8 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -33.11 74.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.34 82.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.384 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 56' ' ' VAL . 33.7 m -69.29 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.07 -41.32 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -45.23 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -73.85 -38.59 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.942 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.549 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 46.7 mmm -43.58 -37.71 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 17.8 t0 -57.79 -40.57 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.203 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.3 ttm180 -70.19 -39.56 75.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' CA ' ' HE2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.47 -35.98 77.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 t . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 84' ' ' SER . 8.0 tp60 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER 174.8 155.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -147.33 -164.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -93.77 157.85 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.0 p -127.38 164.27 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.46 99.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 89' ' ' VAL . 12.8 p -147.08 109.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -111.24 129.25 56.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.548 ' N ' HD12 ' A' ' 91' ' ' LEU . 59.2 p . . . . . 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 7.6 p . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 108.279 -1.008 . . . . 0.0 108.279 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.9 t -96.83 -83.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -108.72 -163.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.504 HD13 ' OD1' ' A' ' 50' ' ' ASP . 12.0 mt -108.5 105.23 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.615 ' O ' HG22 ' A' ' 16' ' ' THR . 4.9 m 75.47 -130.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 79.76 18.18 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -176.16 111.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -77.19 81.34 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -72.4 136.96 81.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 62' ' ' SER . 0.6 OUTLIER -51.42 -37.03 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -29.68 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.409 ' C ' ' HE3' ' A' ' 42' ' ' LYS . 2.0 mpt_? -88.02 -19.76 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.684 HG22 ' HE1' ' A' ' 63' ' ' MET . 10.7 mt -94.29 150.19 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' HE1' ' A' ' 63' ' ' MET . 0.5 OUTLIER -107.25 -77.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 40' ' ' ILE . 6.2 t -117.87 172.55 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 9.9 p90 -143.99 155.41 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.95 128.6 36.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.86 135.68 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -108.99 165.99 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.85 -20.28 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.14 -171.3 4.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.385 1.053 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.48 -26.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.08 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -64.07 -59.71 4.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.31 55.12 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.96 156.53 47.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.3 m -96.54 118.0 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.623 HD13 ' HA ' ' A' ' 48' ' ' CYS . 21.3 mm -97.0 130.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -109.58 119.3 38.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 26' ' ' THR . 5.3 mt -103.76 127.23 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 24' ' ' ILE . 2.9 p -97.37 164.99 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.35 -30.23 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -20.72 65.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 0.23 55.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.87 112.24 16.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 38' ' ' ILE . 9.5 ptmt -102.81 137.25 41.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -131.46 176.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.623 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.7 m -119.22 154.49 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.334 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.487 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.24 154.51 34.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.504 ' OD1' HD13 ' A' ' 14' ' ' LEU . 3.6 m-20 -84.8 128.92 58.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 1.05 8.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -81.81 -11.65 58.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.68 135.84 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -69.36 -40.39 77.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 10.5 p-90 -62.39 -34.22 76.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.853 ' O ' HG23 ' A' ' 60' ' ' VAL . 38.5 t -67.18 -48.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -44.42 70.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.5 t -66.69 -38.0 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.7 t -59.5 -39.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -42.66 97.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.495 ' HB3' HG21 ' A' ' 21' ' ' VAL . 2.6 t -73.19 -44.62 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.684 ' HE1' HG22 ' A' ' 24' ' ' ILE . 69.3 mmm -40.56 -41.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -58.11 -46.13 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -27.99 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.94 71.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.968 -179.96 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.337 -0.246 . . . . 0.0 110.337 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 165.85 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 86' ' ' ASN . 98.2 m -137.96 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.407 ' N ' HG22 ' A' ' 85' ' ' THR . 2.0 m-80 -149.56 159.82 43.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.2 p -131.49 -178.86 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.79 115.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.42 123.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.539 HG22 HD23 ' A' ' 91' ' ' LEU . 35.1 m -115.25 152.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 HG22 ' A' ' 90' ' ' THR . 0.5 OUTLIER -42.56 162.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 92' ' ' THR . 28.1 p . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.447 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 4.8 p . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.704 HG22 ' N ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -81.78 -90.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.704 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -105.62 -162.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.056 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 48' ' ' CYS . 62.6 mt -105.58 149.92 25.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER 36.88 -138.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.72 -7.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.624 HE21 HD22 ' A' ' 19' ' ' LEU . 5.0 pt20 -142.61 82.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 59.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.836 HD11 HG12 ' A' ' 24' ' ' ILE . 1.3 pt? -63.29 151.97 85.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.38 20.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.92 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.76 -36.15 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -24.72 64.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.44 -18.81 27.51 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.6 mt -87.33 148.99 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.621 1.201 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -104.39 -75.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 t -122.04 166.51 14.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.0 p90 -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.16 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.5 mt -111.85 137.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.3 p -111.19 163.56 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -20.12 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.213 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -66.69 -172.2 4.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -42.06 -27.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -64.68 -57.04 10.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.98 52.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -133.9 156.57 47.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 49' ' ' ALA . 33.3 m -96.13 133.19 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.465 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 11.9 mm -107.84 132.11 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.46 ' HB2' HG12 ' A' ' 47' ' ' VAL . 25.8 m-85 -115.45 117.72 31.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mt -106.13 128.36 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.599 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -94.0 165.29 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -23.49 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.72 -0.83 39.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.941 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.54 126.07 30.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 0.725 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.941 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.5 ptmt -111.96 137.52 49.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -129.76 172.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 47' ' ' VAL . 3.8 m -120.62 138.63 53.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.875 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -136.29 152.61 50.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 132.76 51.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 1.77 7.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -12.84 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 55' ' ' TRP . . . -87.33 134.2 33.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.4 m -70.03 -40.94 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.503 ' CE2' HG23 ' A' ' 56' ' ' VAL . 22.2 p-90 -59.76 -42.67 93.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 108.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.648 ' CG1' HG21 ' A' ' 37' ' ' VAL . 23.4 t -57.78 -48.74 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -67.66 -33.04 74.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -46.59 80.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.599 ' HB ' HG23 ' A' ' 21' ' ' VAL . 33.9 m -69.5 -36.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.2 t -59.11 -40.31 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -46.1 91.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -73.16 -37.5 66.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.621 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -44.63 -46.99 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -69.79 -31.83 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -70.37 -48.73 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 67' ' ' SER . 0.3 OUTLIER -71.65 -25.33 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 66' ' ' LYS . 46.9 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.5 p -179.73 164.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 86' ' ' ASN . 32.6 m -122.62 171.06 9.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.503 ' N ' HG22 ' A' ' 85' ' ' THR . 5.1 p30 -88.71 168.72 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.0 p -100.38 175.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.28 99.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.95 123.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.0 m -119.37 150.94 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 92' ' ' THR . 0.9 OUTLIER -107.07 158.27 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.752 ' H ' HD12 ' A' ' 91' ' ' LEU . 8.9 t . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 63.5 t -100.67 -83.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 24.6 p -109.31 -164.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.945 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.4 pp -114.44 106.98 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.6 m 83.74 -136.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 83.52 -8.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.452 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.9 pt20 -152.56 100.57 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 1.1 ttm180 -81.87 117.06 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -115.84 160.06 36.6 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 136.38 20.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.842 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.35 -35.53 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -58.39 -35.7 72.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -21.82 57.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 21' ' ' VAL . 4.5 mt -87.93 149.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -131.51 168.76 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.731 ' CE2' HG13 ' A' ' 60' ' ' VAL . 9.0 p90 -144.06 156.14 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.82 121.72 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.504 HG12 HG12 ' A' ' 37' ' ' VAL . 57.2 mt -100.84 137.24 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -107.07 160.48 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.35 -20.31 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.81 -173.03 8.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.145 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -39.46 -29.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.942 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.2 mt -63.96 -55.4 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.3 ttt-85 37.71 53.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.06 156.28 48.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 2.1 m -96.54 127.07 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.446 ' CD1' ' SG ' ' A' ' 48' ' ' CYS . 5.2 mm -98.77 130.38 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 6.1 m-85 -110.68 116.73 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -104.15 130.57 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.0 p -99.04 167.17 10.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -34.64 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -23.47 66.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.56 0.0 42.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.45 116.39 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 2.3 ptpt -104.84 136.68 43.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.418 HG21 ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -132.54 168.66 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 7.9 m -108.32 156.94 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -153.63 155.57 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.506 ' HB2' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -85.07 130.73 51.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 1.28 7.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.81 -16.32 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -79.37 132.09 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.87 -42.59 73.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.686 ' CE2' HG23 ' A' ' 56' ' ' VAL . 30.9 p-90 -59.71 -43.99 93.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.808 ' O ' HG23 ' A' ' 60' ' ' VAL . 16.3 t -58.03 -48.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -33.52 74.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.18 -46.47 83.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 56' ' ' VAL . 20.4 m -69.48 -36.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 56' ' ' VAL . 34.7 t -59.24 -40.59 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.56 89.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.39 -39.81 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.638 ' HE3' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -43.34 -42.42 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -58.37 -40.88 83.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.9 ttt180 -71.29 -43.82 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -35.95 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 0.0 110.049 -179.99 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.265 -0.272 . . . . 0.0 110.265 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 170.52 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 86' ' ' ASN . 2.2 t -139.76 177.36 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.451 ' N ' ' OG1' ' A' ' 85' ' ' THR . 3.1 t-20 -160.72 163.39 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.6 p -146.26 177.03 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.16 108.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.4 p -161.02 119.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.607 HG22 HD23 ' A' ' 91' ' ' LEU . 25.7 m -103.56 152.65 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 90' ' ' THR . 0.7 OUTLIER -42.56 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.379 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.966 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 18.1 p . . . . . 0 N--CA 1.452 -0.342 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -88.55 -84.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -118.31 -163.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 15' ' ' THR . 12.6 mt -114.63 95.04 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.3 m 77.94 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 82.22 -5.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.417 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -142.1 87.93 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NE ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -69.26 60.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.059 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.668 HD11 HG12 ' A' ' 24' ' ' ILE . 2.2 pt? -57.8 155.47 22.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.16 30.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.534 1.807 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.706 HG22 HG13 ' A' ' 59' ' ' VAL . 59.6 t -59.4 -29.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -39.25 87.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.6 1.188 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -85.0 0.68 50.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.668 HG12 HD11 ' A' ' 19' ' ' LEU . 96.5 mt -100.52 144.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 26' ' ' THR . 12.6 tppt? -96.85 -87.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.471 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 14.8 t -127.55 -176.79 3.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.702 ' CE2' HG13 ' A' ' 60' ' ' VAL . 9.0 p90 -144.12 160.69 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -142.31 126.19 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.672 HG12 HG12 ' A' ' 37' ' ' VAL . 27.5 mt -109.44 137.31 42.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.57 1.169 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 p -109.01 164.47 12.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -19.04 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -69.18 -173.29 9.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' GLY . 93.6 p -39.49 -29.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 0.719 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.439 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.1 mt -62.76 -56.43 17.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.11 46.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.78 158.04 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 49' ' ' ALA . 34.2 m -94.87 132.6 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 47' ' ' VAL . 15.7 mm -107.27 124.84 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' O ' HG12 ' A' ' 47' ' ' VAL . 1.4 m-85 -106.58 117.43 34.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 2.0 mt -95.8 142.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.538 HG22 ' CD1' ' A' ' 19' ' ' LEU . 12.8 p -99.49 170.79 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -63.89 -39.66 94.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -22.67 58.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.26 40.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.72 126.38 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HE2' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -92.44 127.62 37.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -120.8 170.69 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.498 ' HA ' HD13 ' A' ' 38' ' ' ILE . 5.1 m -121.7 150.63 41.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.704 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.39 146.5 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.63 137.25 44.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.81 6.23 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -13.23 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 129.45 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -70.23 -39.7 74.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.654 ' NE1' HG23 ' A' ' 56' ' ' VAL . 7.6 p-90 -59.77 -42.91 94.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 60' ' ' VAL . 19.7 t -63.7 -47.73 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 37.3 mtm180 -63.44 -34.56 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -44.11 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.706 HG13 HG22 ' A' ' 21' ' ' VAL . 35.7 t -65.49 -36.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.7 t -58.75 -40.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.195 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -47.46 85.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -73.79 -39.54 64.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.603 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.5 -41.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -57.88 -46.33 85.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 mtt-85 -71.4 -44.9 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.58 1.175 . . . . 0.0 110.25 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.29 74.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.454 -0.269 0 N-CA-C 110.354 -0.239 . . . . 0.0 110.354 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.62 155.94 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.3 m -127.23 167.53 15.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -142.26 160.87 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -131.49 -179.92 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.08 85.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.94 127.0 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -127.99 151.8 48.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.5 tp -109.8 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.384 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.2 p . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 108.31 -0.996 . . . . 0.0 108.31 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -101.76 -77.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m -118.22 -162.54 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 14' ' ' LEU . 14.6 mt -108.69 104.18 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 16' ' ' THR . 10.1 m 70.9 -127.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 75.43 22.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -175.12 110.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 93.86 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -86.78 135.65 35.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.19 -31.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.95 75.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -6.18 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 21' ' ' VAL . 18.5 mt -99.0 139.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.24 -75.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.13 176.44 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.755 ' CE2' HG13 ' A' ' 60' ' ' VAL . 5.5 p90 -144.16 157.76 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.79 120.47 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -110.93 134.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -112.32 172.44 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -24.73 5.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -166.17 0.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' ARG . 2.9 mt -68.33 -57.14 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.197 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 tpt85 37.16 35.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.253 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 156.83 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.546 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.4 m -96.52 126.08 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 10.1 mm -97.24 131.96 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CD2' HD13 ' A' ' 24' ' ' ILE . 4.7 m-85 -114.14 117.82 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' ILE . 3.4 mt -101.55 135.05 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 p -99.18 167.26 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.408 ' NZ ' ' HG2' ' A' ' 25' ' ' LYS . 60.2 mmtt -57.05 -50.26 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -21.3 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 10.08 35.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.84 123.15 28.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.829 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.2 ptmt -107.73 136.92 46.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -133.57 175.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.46 ' H ' HG22 ' A' ' 47' ' ' VAL . 2.4 m -116.15 152.99 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.546 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -153.06 154.84 35.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.208 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 135.73 40.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.17 6.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -13.3 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -80.22 128.83 33.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -70.08 -44.61 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.485 ' CE2' HG23 ' A' ' 56' ' ' VAL . 16.0 p-90 -59.86 -44.09 94.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 39' ' ' PHE . 63.8 t -57.58 -48.31 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -67.25 -33.1 74.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -46.87 78.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 56' ' ' VAL . 34.1 m -69.88 -36.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.755 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.6 t -58.08 -40.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.67 84.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -34.53 63.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.94 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.574 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -48.26 -42.55 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -70.49 -31.77 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -48.71 62.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.82 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.972 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 110.252 -0.277 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.7 p -171.47 157.75 4.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 86' ' ' ASN . 5.9 t -148.57 -163.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.483 ' N ' HG23 ' A' ' 85' ' ' THR . 1.4 t30 178.51 167.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.6 p -127.12 168.23 14.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.95 100.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' VAL . 10.8 p -144.23 120.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.614 1.196 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -127.52 154.11 45.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -104.66 131.32 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 91' ' ' LEU . 1.3 t . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 p . . . . . 0 N--CA 1.453 -0.319 0 N-CA-C 108.283 -1.006 . . . . 0.0 108.283 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -68.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.198 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -118.13 -163.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 14' ' ' LEU . 10.7 mt -113.45 100.22 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 16' ' ' THR . 6.1 m 73.16 -129.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 74.83 2.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.6 pt20 -149.73 87.66 1.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -60.82 81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -75.34 146.52 81.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 131.28 14.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.949 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -51.6 -38.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -57.09 -42.69 81.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.475 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 7.6 mmt-85 -74.99 -5.32 43.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.949 HD12 ' HA ' ' A' ' 21' ' ' VAL . 14.1 mt -102.34 147.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.424 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.93 -75.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 40' ' ' ILE . 5.4 t -125.29 173.3 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.528 ' CE2' HG13 ' A' ' 60' ' ' VAL . 8.2 p90 -144.26 157.45 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -134.73 119.77 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.593 HG12 HG12 ' A' ' 37' ' ' VAL . 17.4 mt -102.72 137.94 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 16.7 p -115.57 161.09 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -119.92 -23.07 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -64.73 -169.32 1.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -41.23 -28.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 0.733 . . . . 0.0 110.032 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.8 mt -65.39 -55.9 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.447 ' NE ' ' OE2' ' A' ' 31' ' ' GLU . 0.4 OUTLIER 37.06 49.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.35 157.49 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 49' ' ' ALA . 28.4 m -95.38 132.79 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.443 ' N ' ' O ' ' A' ' 28' ' ' THR . 3.3 mm -105.0 133.07 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.756 ' CD2' HD13 ' A' ' 24' ' ' ILE . 4.5 m-85 -116.62 117.3 29.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.518 HD13 ' HD2' ' A' ' 46' ' ' LYS . 9.5 mt -102.37 130.68 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -98.83 165.29 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.24 69.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -21.51 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.02 1.59 48.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.58 128.46 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HD2' HD13 ' A' ' 40' ' ' ILE . 1.2 mtmm -112.09 137.24 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.71 171.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.455 ' N ' HG13 ' A' ' 47' ' ' VAL . 2.0 m -119.13 152.49 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 108.252 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.21 155.12 36.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.41 132.66 55.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 2.22 6.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.581 1.832 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.51 -13.74 57.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -82.22 127.83 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 58' ' ' ASP . 2.3 m -69.75 -42.32 74.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.577 ' CZ2' ' HG2' ' A' ' 18' ' ' ARG . 8.0 p-90 -59.97 -38.91 83.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 1.002 ' O ' HG23 ' A' ' 60' ' ' VAL . 75.3 t -64.68 -48.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 2.3 mtp-105 -67.29 -33.57 75.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 5.3 t70 -63.92 -46.03 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 56' ' ' VAL . 31.2 m -70.58 -34.13 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 56' ' ' VAL . 47.7 t -56.35 -41.73 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.39 -31.72 69.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.598 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 1.3 t -75.54 -41.03 56.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.479 ' HE1' HG22 ' A' ' 24' ' ' ILE . 81.6 mmm -39.94 -46.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -58.23 -45.87 86.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.36 -34.04 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.53 -36.01 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 179.992 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.295 0 N-CA-C 110.306 -0.257 . . . . 0.0 110.306 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.1 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.5 p -70.97 120.66 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -63.37 161.87 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -85.66 171.59 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -168.54 83.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.42 122.25 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -139.47 152.13 46.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 92' ' ' THR . 1.3 tp -105.74 135.36 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 91' ' ' LEU . 9.1 p . . . . . 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 2.4 p . . . . . 0 N--CA 1.454 -0.255 0 N-CA-C 108.272 -1.01 . . . . 0.0 108.272 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.81 HG22 ' N ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -107.98 -95.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.81 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -95.79 -164.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 50' ' ' ASP . 8.6 mt -106.08 103.68 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 m 78.41 -138.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.75 -5.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.93 75.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -66.99 74.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.771 HD11 HG12 ' A' ' 24' ' ' ILE . 2.6 pt? -76.75 154.5 83.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 135.77 19.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.873 ' HA ' HD12 ' A' ' 24' ' ' ILE . 1.5 p -51.14 -38.12 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -57.13 -27.95 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.453 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -88.35 -12.24 43.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.1 mt -96.33 150.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -103.42 -85.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -116.78 170.94 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 13.1 p90 -143.44 161.16 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.0 119.89 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -104.32 137.19 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -109.31 163.04 13.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -20.58 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.52 -172.35 11.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 m -39.13 -30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -61.81 -59.12 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.9 ttt180 37.21 55.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.37 156.33 48.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.572 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.5 m -96.53 122.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.437 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 19.1 mm -97.22 131.85 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CZ ' HG13 ' A' ' 56' ' ' VAL . 26.3 m-85 -118.35 117.58 29.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mt -103.67 127.29 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 4.6 p -95.73 165.73 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.4 mtmp? -59.1 -37.14 76.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.31 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.04 3.41 54.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.181 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.86 122.05 26.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 6.6 ptmt -108.79 136.88 47.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -133.43 169.22 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 13' ' ' SER . 20.0 p -120.44 140.86 50.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.572 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -137.77 155.28 49.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CG ' HD13 ' A' ' 14' ' ' LEU . 2.9 m-20 -82.42 134.56 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 3.38 5.68 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -16.1 53.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.15 132.27 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -70.7 -39.9 73.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 22.9 p-90 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 60' ' ' VAL . 53.7 t -57.86 -47.66 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.18 76.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 56' ' ' VAL . 22.7 m -70.6 -35.99 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 56' ' ' VAL . 11.7 t -58.01 -40.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -47.06 86.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -73.88 -37.59 64.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.564 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -43.0 -35.66 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.74 -42.75 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . 2.6 mtm180 -69.33 -42.27 75.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -36.22 83.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? . . . . . 0 N--CA 1.454 -0.271 0 N-CA-C 110.276 -0.268 . . . . 0.0 110.276 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.8 t -137.56 164.07 29.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 86' ' ' ASN . 5.7 t -69.53 -163.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.494 ' N ' HG23 ' A' ' 85' ' ' THR . 0.7 OUTLIER -160.87 152.11 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.5 p -141.14 -177.69 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -165.47 68.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 89' ' ' VAL . 13.5 p -144.78 106.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.6 t -78.52 156.4 29.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.95 160.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.8 p . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.46 179.966 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 p . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 108.257 -1.016 . . . . 0.0 108.257 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.61 -76.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -112.63 -164.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.956 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -109.07 104.28 13.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.947 ' O ' HG22 ' A' ' 16' ' ' THR . 16.3 m 69.61 -120.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.947 HG22 ' O ' ' A' ' 15' ' ' THR . 2.0 t 62.53 24.86 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -175.85 105.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.4 OUTLIER -81.07 82.54 6.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.26 143.88 91.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.229 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.41 14.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.858 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.5 -36.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -56.85 -24.75 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -17.08 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 21' ' ' VAL . 5.6 mt -92.59 152.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -72.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.658 HG22 ' HB ' ' A' ' 40' ' ' ILE . 12.1 t -119.18 166.89 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 9.8 p90 -143.92 150.66 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.065 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.471 ' C ' HD13 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -133.52 120.31 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 1.093 HG23 HG12 ' A' ' 37' ' ' VAL . 2.4 mm -106.3 137.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 70.2 p -117.2 161.24 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.44 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.59 -19.67 6.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -68.43 -168.31 4.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 4.6 m -38.92 -31.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.6 mt -65.78 -55.18 18.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 36.56 47.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.47 157.11 47.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 1.093 HG12 HG23 ' A' ' 29' ' ' ILE . 25.5 m -95.86 132.28 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 48' ' ' CYS . 24.1 mm -111.26 120.65 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 17.2 m-85 -106.27 116.74 32.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.658 ' HB ' HG22 ' A' ' 26' ' ' THR . 7.5 mt -100.99 129.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.61 HG22 ' HA ' ' A' ' 24' ' ' ILE . 1.3 p -99.1 165.03 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -17.01 61.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 -18.29 48.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.93 -1.07 59.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 111.39 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 4.8 ptpt -101.92 137.5 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.95 153.99 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.1 p -106.82 139.8 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.892 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -140.51 155.45 46.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.92 131.22 60.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 3.8 5.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -12.35 59.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -84.9 132.72 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.04 -37.98 81.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.56 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 6.6 p-90 -62.46 -35.28 78.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 43.0 t -67.48 -48.06 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -64.77 -33.3 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -44.32 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 63' ' ' MET . 2.7 t -65.64 -37.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.8 -40.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -46.06 92.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.6 t -73.04 -42.95 62.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.473 ' HG2' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -40.85 -36.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -61.12 -47.03 88.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.33 -30.16 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.175 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -36.16 83.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 110.364 -0.235 . . . . 0.0 110.364 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -159.29 153.09 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -111.51 -163.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -168.66 163.85 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 78.9 p -124.75 166.44 16.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.55 98.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.9 p -133.01 121.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -106.43 150.66 25.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 92' ' ' THR . 1.2 tp -101.96 127.36 48.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.534 ' N ' HD12 ' A' ' 91' ' ' LEU . 1.3 t . . . . . 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' SER . 14.3 p . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 108.302 -0.999 . . . . 0.0 108.302 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.72 -80.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.52 -163.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 14' ' ' LEU . 17.1 mt -107.5 105.0 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' HG22 ' A' ' 16' ' ' THR . 8.0 m 72.58 -125.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 16' ' ' THR . 0.5 OUTLIER 70.3 19.77 6.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -173.16 111.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.0 85.8 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 138.66 73.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.86 10.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.87 ' HA ' HD12 ' A' ' 24' ' ' ILE . 6.1 p -52.01 -32.42 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -22.88 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.26 -19.93 16.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.3 mt -82.6 145.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.472 ' CG ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -96.93 -72.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -131.6 -178.4 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.6 p90 -144.15 153.7 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.18 124.29 24.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.43 137.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.9 p -107.54 163.43 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -117.1 -18.21 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.61 -167.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 p -64.21 -10.19 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 0.703 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.405 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.2 tp -82.79 -52.43 6.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.7 ttp180 38.09 76.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.33 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.565 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.0 m -96.63 117.46 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.804 HG21 ' HE2' ' A' ' 46' ' ' LYS . 15.8 mm -96.18 132.64 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' HG12 ' A' ' 47' ' ' VAL . 45.2 m-85 -112.73 118.73 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 mt -101.18 132.91 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 9.6 p -98.95 167.04 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD3' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -56.05 -47.41 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -21.82 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.76 5.99 47.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.84 121.73 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.804 ' HE2' HG21 ' A' ' 38' ' ' ILE . 5.2 ptmt -106.6 136.85 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.217 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 ' H ' ' A' ' 48' ' ' CYS . 4.2 p -126.67 176.1 7.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.611 ' H ' HG22 ' A' ' 47' ' ' VAL . 1.8 m -121.43 151.4 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -152.82 154.64 35.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 130.67 50.95 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -16.2 52.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.59 131.72 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.99 -38.78 76.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.435 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.4 p-90 -59.96 -39.54 85.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.852 ' O ' HG23 ' A' ' 60' ' ' VAL . 24.9 t -67.97 -48.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -61.39 -33.72 74.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.62 -44.07 71.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.415 HG21 ' HZ3' ' A' ' 55' ' ' TRP . 2.4 t -66.36 -36.92 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 56' ' ' VAL . 74.2 t -58.94 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -44.44 87.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' ARG . 2.0 t -73.35 -43.53 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.722 ' SD ' HG23 ' A' ' 21' ' ' VAL . 62.5 mmm -41.4 -33.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.05 -46.96 86.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.43 -29.06 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.12 82.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 . . . . . 0 N--CA 1.454 -0.249 0 N-CA-C 110.26 -0.274 . . . . 0.0 110.26 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.54 170.17 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.9 m -140.81 166.96 23.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.58 153.18 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.8 p -135.55 -179.88 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.6 109.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 89' ' ' VAL . 8.8 p -159.56 120.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 91' ' ' LEU . 23.2 m -121.65 152.5 39.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 90' ' ' THR . 0.4 OUTLIER -42.96 161.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.6 p . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.372 -179.946 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p . . . . . 0 N--CA 1.454 -0.262 0 N-CA-C 108.255 -1.017 . . . . 0.0 108.255 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.69 -76.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.66 -163.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 50' ' ' ASP . 6.4 mt -106.51 102.18 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 16' ' ' THR . 2.2 m 70.7 -136.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 80.76 -4.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -140.12 85.89 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -64.62 86.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.229 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 5.4 mp -82.15 141.01 46.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.01 131.19 14.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 HG22 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -52.33 -25.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -64.66 -29.72 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -25.73 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.464 HG22 ' CE ' ' A' ' 63' ' ' MET . 12.5 mt -82.61 145.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.68 -77.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.424 ' CG2' HD12 ' A' ' 40' ' ' ILE . 6.3 t -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 16.9 p90 -142.99 161.28 38.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.72 124.54 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.5 mt -110.7 137.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.485 HG21 HD23 ' A' ' 34' ' ' LEU . 38.0 p -101.75 165.87 10.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.18 -20.39 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.02 -166.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -10.56 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -82.45 -52.3 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' THR . 27.5 ttt180 37.82 62.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -121.56 156.47 32.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.62 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -96.6 119.66 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.617 HD13 ' HA ' ' A' ' 48' ' ' CYS . 15.9 mm -98.65 132.56 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -116.94 117.87 30.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.424 HD12 ' CG2' ' A' ' 26' ' ' THR . 6.6 mt -100.04 129.31 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 1.2 p -99.44 166.58 11.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -25.05 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.389 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -19.86 61.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -0.41 57.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -81.14 110.86 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.12 130.59 45.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -124.77 156.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.233 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.617 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.6 p -104.9 151.21 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -148.68 154.35 39.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.8 m-20 -81.85 131.06 58.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.758 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -7.76 59.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.435 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -87.18 127.2 35.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -67.29 -39.31 85.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CE2' HG23 ' A' ' 56' ' ' VAL . 4.6 p-90 -62.18 -35.74 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 60' ' ' VAL . 9.0 t -68.2 -47.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -36.38 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.12 -44.28 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.461 HG22 HG23 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -60.62 -36.27 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 56' ' ' VAL . 92.5 t -58.73 -40.88 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.88 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -33.36 67.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.593 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 18.9 tpp -62.05 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 63' ' ' MET . 4.0 t0 -56.41 -31.47 63.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -26.75 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -36.44 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.281 -0.266 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 p -169.9 170.09 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 86' ' ' ASN . 8.4 t -171.82 -162.75 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.422 ' C ' HG23 ' A' ' 87' ' ' THR . 5.3 t-20 174.49 167.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 86' ' ' ASN . 18.0 p -154.17 179.46 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.36 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 89' ' ' VAL . 11.3 p -145.2 109.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 m -146.78 156.46 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 92' ' ' THR . 1.4 tp -112.75 135.09 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 91' ' ' LEU . 43.8 p . . . . . 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 7.7 p . . . . . 0 N--CA 1.454 -0.246 0 N-CA-C 108.271 -1.011 . . . . 0.0 108.271 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.35 -84.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -112.27 -163.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' C ' ' A' ' 49' ' ' ALA . 7.8 mt -106.05 104.91 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.641 ' O ' HG22 ' A' ' 16' ' ' THR . 3.6 m 71.73 -131.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.22 12.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.365 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 179.97 106.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 3.2 ttm105 -63.05 84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.751 HD13 ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm? -53.64 142.4 42.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.751 ' HD2' HD13 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.92 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.868 HG21 HG22 ' A' ' 59' ' ' VAL . 69.6 t -51.05 -38.76 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -17.17 7.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.442 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -107.84 -15.51 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.854 HD12 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -84.27 142.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -78.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -122.74 175.64 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' ' 63' ' ' MET . 5.6 p90 -144.39 159.79 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -136.42 120.1 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -101.73 133.56 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -97.09 160.5 14.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.21 -20.46 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.69 -172.6 16.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.38 -28.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -63.38 -56.71 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.05 62.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -138.77 155.95 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.8 m -97.09 118.31 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 47' ' ' VAL . 18.1 mm -96.85 131.49 43.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.651 ' HB2' HG12 ' A' ' 47' ' ' VAL . 35.8 m-85 -112.18 119.63 39.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.479 HG12 ' CG ' ' A' ' 46' ' ' LYS . 2.9 mt -98.14 127.41 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -99.82 164.91 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.41 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -18.59 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.13 8.97 64.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -80.41 118.71 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.72 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.617 ' N ' HD12 ' A' ' 45' ' ' LEU . 3.1 mtpt -92.33 124.55 36.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -118.11 171.5 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.626 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -124.92 144.08 50.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.227 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.662 ' C ' HD22 ' A' ' 14' ' ' LEU . . . -143.46 154.2 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' HD22 ' A' ' 14' ' ' LEU . 1.3 m-20 -85.68 130.5 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.03 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -7.85 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -88.32 127.56 35.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.601 1.188 . . . . 0.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -70.18 -38.4 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.581 ' HZ3' HG21 ' A' ' 59' ' ' VAL . 4.7 p-90 -60.28 -32.8 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.643 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 63.9 t -65.28 -47.82 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -35.13 77.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -43.78 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.868 HG22 HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -63.04 -36.1 74.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 56' ' ' VAL . 26.4 t -57.27 -40.89 76.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.86 93.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -34.91 64.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -73.54 -48.49 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.59 ' N ' ' CG ' ' A' ' 63' ' ' MET . 28.9 t0 -54.36 -45.81 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.068 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -25.55 63.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -36.79 46.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 63' ' ' MET . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.328 -0.249 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.86 168.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 86' ' ' ASN . 97.1 m -132.16 171.42 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.468 ' N ' HG22 ' A' ' 85' ' ' THR . 5.5 p-10 -90.28 158.51 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.9 p -135.61 159.86 40.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.3 110.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 89' ' ' VAL . 7.8 p -155.97 114.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.6 m -144.2 151.62 39.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.16 134.41 52.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.85 -91.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -110.03 -163.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.608 HD22 ' C ' ' A' ' 49' ' ' ALA . 10.6 mt -112.63 93.11 4.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 16' ' ' THR . 2.5 m 71.73 -133.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.6 -7.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 6.7 pt20 -146.36 88.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.506 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -54.12 89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.559 HD23 ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -68.45 160.64 75.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.559 ' HD2' HD23 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.02 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 1.034 HG21 HG11 ' A' ' 59' ' ' VAL . 92.1 t -51.38 -43.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -17.76 9.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -101.82 0.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.774 HG22 ' HE1' ' A' ' 63' ' ' MET . 64.7 mt -92.12 139.37 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 63' ' ' MET . 3.4 ttpt -93.97 -80.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.823 ' CG2' HD13 ' A' ' 40' ' ' ILE . 3.1 t -122.75 175.37 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 23.2 p90 -145.47 148.92 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.29 119.46 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 37' ' ' VAL . 46.0 mt -111.72 137.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 68.5 p -127.13 178.65 5.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -130.95 -15.17 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -51.49 -171.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 p -48.22 -20.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -87.09 -52.07 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' THR . 19.4 ptt85 35.98 67.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.555 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -138.67 157.79 45.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.732 HG21 HG11 ' A' ' 56' ' ' VAL . 15.7 m -95.17 122.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 4.0 mm -95.52 133.96 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -112.71 117.94 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . 0.823 HD13 ' CG2' ' A' ' 26' ' ' THR . 3.4 mt -99.23 135.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 p -99.54 164.4 12.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -56.81 -37.15 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.24 -24.21 62.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.69 -0.28 34.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 134.63 35.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.638 0.846 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -115.77 134.77 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -123.37 165.42 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.26 151.6 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.608 ' C ' HD22 ' A' ' 14' ' ' LEU . . . -153.25 157.06 39.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.4 134.96 39.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HB3' HG13 ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.07 1.53 7.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -14.76 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -78.92 123.94 27.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.96 -39.76 79.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 19.3 p-90 -59.54 -42.19 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 60' ' ' VAL . 73.0 t -60.22 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -32.92 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -48.44 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 1.034 HG11 HG21 ' A' ' 21' ' ' VAL . 24.9 m -70.81 -33.22 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 t -56.47 -41.52 72.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -47.72 84.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.4 t -73.66 -47.97 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.774 ' HE1' HG22 ' A' ' 24' ' ' ILE . 52.5 mmm -38.32 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 t70 -57.01 -47.63 80.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.4 ptt85 -72.19 -30.02 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.36 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t . . . . . 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.966 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.324 -0.25 . . . . 0.0 110.324 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.4 p 178.98 134.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -142.32 164.2 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 177.96 155.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -129.21 164.11 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.2 99.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.244 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 89' ' ' VAL . 15.0 p -147.72 113.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.0 m -115.74 151.72 34.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 92' ' ' THR . 1.5 tp -109.62 132.5 54.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.583 ' N ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.415 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 108.322 -0.992 . . . . 0.0 108.322 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.56 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 76.0 t -75.07 -88.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' SER . . . . . 0.499 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER -117.13 -167.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 48' ' ' CYS . 94.0 mt -91.5 150.47 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER 37.02 -137.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 86.39 9.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 179.97 106.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.61 104.15 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.227 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 7.4 mp -97.6 139.92 21.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.6 Cg_endo -74.97 133.2 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' VAL . . . . . 0.937 HG23 HG22 ' A' ' 59' ' ' VAL . 14.8 t -51.22 -31.7 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.35 -25.23 67.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -27.17 15.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.454 HG22 ' HE1' ' A' ' 63' ' ' MET . 9.2 mt -83.02 142.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -77.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -125.6 174.91 7.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 9.6 p90 -144.51 160.41 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.35 126.74 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -108.3 136.98 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.7 p -107.39 163.92 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.67 -19.77 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.12 -171.36 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -27.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.1 mt -64.37 -56.21 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER 37.39 45.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.36 157.11 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' VAL . . . . . 0.621 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -95.89 130.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ILE . . . . . 0.486 ' HA ' ' O ' ' A' ' 47' ' ' VAL . 9.6 mm -104.65 132.53 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.506 ' HB2' HG12 ' A' ' 47' ' ' VAL . 20.7 m-85 -116.03 117.73 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.3 mt -98.88 131.04 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 17.2 p -99.38 172.12 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -39.54 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -21.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.36 3.62 47.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -80.15 115.46 19.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 1.5 mtmm -102.11 134.04 46.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -129.73 168.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . 0.59 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -116.62 154.05 31.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.371 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -147.07 154.43 41.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.494 ' CG ' ' CG ' ' A' ' 52' ' ' GLN . 1.6 t0 -80.27 126.44 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -82.81 -20.8 35.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 137.68 38.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -70.25 -37.63 74.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.1 p-90 -59.61 -39.82 85.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 107.925 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.442 HG13 ' HZ ' ' A' ' 39' ' ' PHE . 73.6 t -66.25 -48.09 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.35 -34.4 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.71 -44.36 70.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' VAL . . . . . 0.937 HG22 HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -62.88 -36.45 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -46.91 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -73.88 -31.56 63.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' MET . . . . . 0.563 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 13.2 tpp -73.01 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 6.0 t0 -54.48 -46.01 73.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 16.9 ptt180 -69.43 -26.43 64.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.628 1.205 . . . . 0.0 110.223 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -80.06 -36.29 35.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' MET . 23.0 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 110.256 -0.276 . . . . 0.0 110.256 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.51 167.9 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.1 m -99.77 163.69 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 -173.68 3.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 44.1 p -128.33 -176.04 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 171.15 90.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.0 124.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -107.83 152.77 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -103.48 130.4 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' THR . . . . . 0.524 ' N ' HD12 ' A' ' 91' ' ' LEU . 45.8 p . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.43 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 62.4 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.32 -0.622 . . . . 0.0 109.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -175.59 140.19 5.07 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 174.3 -172.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 0.762 . . . . 0.0 110.028 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.444 ' O ' ' C ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER -73.75 175.92 6.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.475 1.109 . . . . 0.0 110.315 -179.992 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.444 ' C ' ' O ' ' A' ' 4' ' ' GLU . 2.7 p 36.58 87.05 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.286 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -102.48 -7.97 21.46 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.489 1.118 . . . . 0.0 109.988 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.459 ' O ' ' CB ' ' A' ' 8' ' ' LYS . 0.7 OUTLIER -133.21 -45.53 0.84 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.481 1.113 . . . . 0.0 109.3 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.459 ' CB ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 84.4 178.52 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.42 1.075 . . . . 0.0 109.283 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.408 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 8.7 ttt180 -91.23 -66.86 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.543 1.152 . . . . 0.0 110.258 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 46.7 m -56.69 -84.22 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.558 1.161 . . . . 0.0 110.411 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 14.8 p -177.98 -154.35 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 108.312 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -112.37 -75.65 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.565 1.165 . . . . 0.0 109.306 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -109.84 -163.48 0.86 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 109.996 -179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD13 ' CG ' ' A' ' 50' ' ' ASP . 9.7 mt -111.72 97.92 7.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 16' ' ' THR . 1.6 m 74.58 -137.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.355 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.84 -7.47 1.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 110.382 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.464 ' NE2' HG21 ' A' ' 47' ' ' VAL . 5.6 pt20 -141.4 89.03 2.19 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.563 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -70.27 87.0 0.6 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 110.315 179.988 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.414 HD12 ' O ' ' A' ' 17' ' ' GLN . 7.1 mp -80.94 142.88 52.56 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.261 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.98 138.51 23.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.554 1.818 . . . . 0.0 110.991 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.831 HG22 HG13 ' A' ' 59' ' ' VAL . 51.5 t -51.93 -31.45 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.309 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 18.0 t -62.26 -26.69 68.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.004 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.444 ' O ' HG22 ' A' ' 41' ' ' THR . 0.0 OUTLIER -95.18 -3.64 47.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.354 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.783 HD12 ' HA ' ' A' ' 21' ' ' VAL . 6.7 mt -107.01 148.81 11.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.542 1.151 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.46 -77.45 0.58 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.442 ' OG1' ' ND2' ' A' ' 71' ' ' ASN . 3.0 t -120.02 170.77 8.97 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.367 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.419 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 6.4 p90 -140.29 155.59 46.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 111.015 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.75 122.93 18.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 1.116 . . . . 0.0 110.393 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.9 mt -113.42 129.58 68.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.15 . . . . 0.0 109.297 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 59.1 p -101.67 165.0 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 110.431 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -118.52 -20.14 8.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 0.0 110.334 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.401 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.66 -171.72 5.77 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.551 1.157 . . . . 0.0 111.008 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -42.27 -27.73 0.16 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 0.772 . . . . 0.0 110.009 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.9 OUTLIER -63.53 -58.81 5.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 179.975 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' LEU . 1.5 ttp85 37.39 51.79 1.19 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 1.111 . . . . 0.0 110.3 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.02 156.27 44.75 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.48 1.112 . . . . 0.0 109.305 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.625 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 2.1 m -96.67 119.4 44.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.488 1.117 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.423 HD13 ' HA ' ' A' ' 48' ' ' CYS . 24.5 mm -99.89 124.43 53.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.411 ' CZ ' HG13 ' A' ' 56' ' ' VAL . 19.7 m-85 -111.75 117.92 34.18 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 111.021 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.441 HD12 ' CG2' ' A' ' 26' ' ' THR . 7.8 mt -100.79 133.08 45.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 0.0 109.259 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.444 HG22 ' O ' ' A' ' 23' ' ' ARG . 3.1 p -99.38 165.61 11.58 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.43 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.51 -10.51 45.46 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.265 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.47 -17.43 32.18 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 110.335 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.24 -3.25 54.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.522 1.139 . . . . 0.0 110.96 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.12 117.29 20.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.473 0.749 . . . . 0.0 109.298 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.408 ' CD ' ' O ' ' A' ' 9' ' ' ARG . 4.8 ptpt -107.32 135.42 48.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.261 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.464 HG21 ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -131.87 156.76 42.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.43 1.081 . . . . 0.0 109.288 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.423 ' HA ' HD13 ' A' ' 38' ' ' ILE . 7.4 p -108.23 155.01 20.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 108.278 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.625 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -152.27 155.1 37.03 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.254 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.478 ' CG ' HD13 ' A' ' 14' ' ' LEU . 8.4 m-20 -80.44 130.39 65.32 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 109.337 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 2.99 6.0 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.521 1.8 . . . . 0.0 110.962 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.08 -9.27 59.85 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.263 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.483 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -90.24 130.54 36.35 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.3 m -69.28 -38.13 78.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.144 . . . . 0.0 110.434 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.563 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 1.8 p-90 -60.05 -36.34 77.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.147 . . . . 0.0 107.992 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.483 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 76.9 t -68.01 -48.1 76.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.33 -33.89 73.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.64 -44.31 70.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.555 1.159 . . . . 0.0 109.322 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.831 HG13 HG22 ' A' ' 21' ' ' VAL . 1.7 t -67.22 -37.33 78.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 4.5 t -59.65 -40.26 81.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -57.81 -45.62 85.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.322 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.9 t -70.89 -46.87 61.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.554 1.159 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.678 ' HE1' HG22 ' A' ' 24' ' ' ILE . 60.7 mmm -42.07 -41.48 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.007 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.439 ' O ' ' N ' ' A' ' 68' ' ' ASN . 14.6 t0 -58.28 -43.71 88.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.111 . . . . 0.0 109.275 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 62' ' ' SER . 16.2 ttt180 -71.23 -33.51 69.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.152 . . . . 0.0 110.315 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -67.75 -36.13 79.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.537 1.148 . . . . 0.0 109.327 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -123.57 39.69 3.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.492 1.12 . . . . 0.0 109.987 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -69.43 -51.29 37.75 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 85.1 m -113.31 57.0 0.68 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 110.383 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 71' ' ' ASN . 3.2 ttt85 -164.33 -43.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.25 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' ND2' ' OG1' ' A' ' 26' ' ' THR . 36.3 t-20 -40.26 -64.59 0.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.443 1.089 . . . . 0.0 109.316 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 28.0 p-10 179.74 67.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.417 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -80.36 50.13 1.23 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.48 1.112 . . . . 0.0 111.008 179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.417 HG23 ' O ' ' A' ' 73' ' ' MET . 2.1 pp -151.37 166.93 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.297 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -157.95 88.9 0.98 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.546 1.154 . . . . 0.0 110.333 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 p -40.45 160.52 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.548 1.155 . . . . 0.0 110.375 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -113.31 101.08 53.08 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 168.72 24.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.51 1.795 . . . . 0.0 111.01 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.3 m -93.29 161.69 14.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.128 . . . . 0.0 110.391 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -132.94 -111.27 1.27 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.436 1.085 . . . . 0.0 110.963 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.601 HG23 ' N ' ' A' ' 82' ' ' GLN . 8.8 t -156.57 -138.98 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 0.775 . . . . 0.0 110.451 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.601 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -166.08 169.92 14.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.472 1.107 . . . . 0.0 110.258 -179.996 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -153.96 161.94 41.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 90.3 p -162.9 171.41 16.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 m -152.21 162.35 41.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.6 m-80 -139.76 171.32 14.39 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 0.0 109.333 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 52.0 p -148.83 178.05 9.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 110.377 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -169.99 109.48 0.4 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.309 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' O ' HG13 ' A' ' 89' ' ' VAL . 8.1 p -159.58 118.75 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.118 . . . . 0.0 109.296 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 89.2 m -117.73 149.23 41.11 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.512 1.132 . . . . 0.0 110.36 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -41.09 155.42 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.433 1.083 . . . . 0.0 109.256 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.2 t -96.95 134.7 39.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.125 . . . . 0.0 110.36 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 111.025 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 70.3 t . . . . . 0 N--CA 1.452 -0.34 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.09 -158.33 9.02 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.483 1.114 . . . . 0.0 111.001 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -82.16 -179.01 7.25 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 0.786 . . . . 0.0 110.016 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.5 123.94 32.27 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 110.31 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.46 ' O ' ' CB ' ' A' ' 6' ' ' SER . 53.4 t -134.88 158.88 41.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.563 1.164 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.46 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 82.73 -10.67 1.03 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.956 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -106.8 -29.87 9.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.203 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.19 169.03 0.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.305 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -123.82 -69.09 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.107 . . . . 0.0 110.293 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.741 HG21 HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -106.9 -42.43 4.93 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 110.413 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.431 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 2.5 p -146.63 -157.16 0.78 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.639 1.212 . . . . 0.0 108.256 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.43 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 0.0 OUTLIER -110.51 -91.36 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.296 -179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -96.27 -163.24 1.03 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.009 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.451 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.8 mt -108.61 105.14 14.62 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.553 1.158 . . . . 0.0 109.282 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.668 ' O ' HG22 ' A' ' 16' ' ' THR . 7.7 m 72.21 -132.87 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.127 . . . . 0.0 110.427 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.668 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.51 -0.78 2.5 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.397 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 19' ' ' LEU . 5.1 pt20 -146.31 90.21 1.93 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.131 . . . . 0.0 110.307 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.552 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -65.53 73.19 0.06 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.544 1.152 . . . . 0.0 110.314 179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.4 OUTLIER -67.56 144.69 97.89 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.356 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.91 133.0 16.2 Favored 'Trans proline' 0 C--N 1.359 1.091 0 O-C-N 124.479 1.778 . . . . 0.0 110.997 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.764 HG23 HG13 ' A' ' 59' ' ' VAL . 0.3 OUTLIER -51.61 -36.29 18.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.327 179.938 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -58.92 -25.69 63.67 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.578 1.173 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -88.51 -18.04 29.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.555 1.159 . . . . 0.0 110.371 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.743 HD12 ' HA ' ' A' ' 21' ' ' VAL . 8.0 mt -93.02 151.83 3.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.453 1.096 . . . . 0.0 109.362 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.68 -72.31 0.72 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.448 1.092 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.629 HG22 ' HB ' ' A' ' 40' ' ' ILE . 7.1 t -120.66 167.2 12.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 110.407 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.538 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 1.9 p90 -138.78 161.17 37.88 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 111.001 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.514 ' C ' HD12 ' A' ' 29' ' ' ILE . 0.9 OUTLIER -144.08 122.49 12.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.409 1.068 . . . . 0.0 110.386 179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.585 ' N ' HD12 ' A' ' 29' ' ' ILE . 2.0 mp -104.81 137.04 35.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.2 p -102.4 160.56 14.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 110.476 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.09 -19.89 8.89 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.331 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.408 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.72 -172.33 7.51 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.506 1.128 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -45.85 -25.17 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 0.739 . . . . 0.0 110.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.417 ' O ' ' C ' ' A' ' 35' ' ' ARG . 0.2 OUTLIER -65.74 -57.1 8.82 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.292 179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 37.56 62.11 0.91 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 1.118 . . . . 0.0 110.254 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.4 156.54 48.48 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.498 1.124 . . . . 0.0 109.281 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.542 HG12 HG13 ' A' ' 29' ' ' ILE . 3.5 m -96.16 116.64 38.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 109.295 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.741 HD12 HG21 ' A' ' 10' ' ' THR . 17.6 mm -94.7 130.67 43.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.472 ' HB2' HG12 ' A' ' 47' ' ' VAL . 42.2 m-85 -111.7 117.3 32.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.452 1.095 . . . . 0.0 111.009 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.629 ' HB ' HG22 ' A' ' 26' ' ' THR . 7.6 mt -103.24 123.95 57.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.522 1.139 . . . . 0.0 109.307 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.598 HG22 ' HA ' ' A' ' 24' ' ' ILE . 2.2 p -93.84 165.33 12.73 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 110.435 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.61 -27.77 68.89 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.431 1.082 . . . . 0.0 109.316 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -69.2 -21.24 63.97 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.551 1.157 . . . . 0.0 110.295 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.79 -0.59 52.2 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.967 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.576 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -79.7 116.55 19.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.453 0.737 . . . . 0.0 109.346 179.965 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.576 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.0 OUTLIER -104.84 137.46 42.59 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.546 1.154 . . . . 0.0 109.306 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.472 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -132.29 169.53 21.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.3 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.427 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.5 m -115.37 153.43 31.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.588 1.18 . . . . 0.0 108.363 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.515 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.32 155.26 36.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.285 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -84.36 130.08 55.38 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 0.0 109.327 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.448 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.01 0.76 8.52 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.509 1.794 . . . . 0.0 110.955 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.89 -13.24 57.84 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 110.293 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -82.3 134.14 35.26 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.434 1.084 . . . . 0.0 109.293 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.4 m -69.75 -41.34 75.36 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.528 1.143 . . . . 0.0 110.403 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.552 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 8.1 p-90 -59.71 -34.12 72.49 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.978 ' O ' HG23 ' A' ' 60' ' ' VAL . 33.6 t -67.93 -47.32 79.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 109.315 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.32 -35.72 81.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -69.98 -44.16 70.0 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.475 1.11 . . . . 0.0 109.25 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.764 HG13 HG23 ' A' ' 21' ' ' VAL . 8.6 t -66.8 -37.11 78.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.978 HG23 ' O ' ' A' ' 56' ' ' VAL . 56.3 t -59.18 -40.48 81.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 0.0 109.332 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.22 -44.72 94.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.449 1.093 . . . . 0.0 110.244 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.18 -35.1 66.35 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 109.978 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.592 ' SD ' HG22 ' A' ' 21' ' ' VAL . 44.4 mmm -52.6 -43.88 65.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.428 ' O ' ' N ' ' A' ' 68' ' ' ASN . 5.8 t0 -69.82 -31.6 69.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.46 1.1 . . . . 0.0 109.258 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.36 -43.96 80.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 1.128 . . . . 0.0 110.283 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.424 ' HG3' ' N ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -76.66 -28.48 56.01 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.273 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.424 ' N ' ' HG3' ' A' ' 66' ' ' LYS . 31.3 t -117.58 43.33 2.39 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.546 1.154 . . . . 0.0 109.91 -179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -69.68 -55.6 9.54 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.1 t -39.24 -33.65 0.15 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.463 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' ASN . 7.1 ttt180 -38.99 -40.47 0.66 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.546 1.153 . . . . 0.0 110.274 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.446 ' O ' ' N ' ' A' ' 73' ' ' MET . 55.8 m-20 -39.41 105.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.421 ' O ' ' N ' ' A' ' 74' ' ' ILE . 35.2 m-20 39.67 29.68 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.606 1.191 . . . . 0.0 109.274 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 71' ' ' ASN . 5.0 mmm 69.03 -58.91 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.421 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.2 OUTLIER -141.69 140.0 31.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.307 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -160.43 62.95 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.502 1.126 . . . . 0.0 110.29 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.6 m -162.52 139.16 7.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.557 1.161 . . . . 0.0 110.402 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -42.13 153.56 0.29 Allowed Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.241 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 137.74 21.93 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.556 1.819 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 30.6 p -64.52 178.1 0.79 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.456 1.097 . . . . 0.0 110.376 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -89.55 -94.18 1.13 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.505 1.128 . . . . 0.0 111.028 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.511 HG23 ' N ' ' A' ' 82' ' ' GLN . 8.8 t -162.08 -143.89 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.51 0.77 . . . . 0.0 110.422 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.511 ' N ' HG23 ' A' ' 81' ' ' THR . 1.6 tt0 -141.86 169.18 18.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.518 1.136 . . . . 0.0 110.346 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -129.25 157.07 42.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 110.32 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 1.7 m -178.89 160.09 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.471 1.107 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.431 HG22 ' N ' ' A' ' 86' ' ' ASN . 88.1 m -120.66 168.66 11.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 110.417 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.431 ' N ' HG22 ' A' ' 85' ' ' THR . 2.1 p30 -94.64 167.12 11.67 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.528 1.143 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.428 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 35.9 p -96.89 -177.08 3.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.408 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.428 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.28 107.5 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.517 1.136 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.3 p -149.57 124.43 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 23.6 m -124.28 152.97 42.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 110.371 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.545 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -111.21 135.12 52.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.545 ' N ' HD12 ' A' ' 91' ' ' LEU . 3.6 t -66.43 146.92 54.01 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.48 1.112 . . . . 0.0 110.973 179.941 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 59.1 t . . . . . 0 N--CA 1.453 -0.325 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 67.56 -140.25 36.63 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.445 1.091 . . . . 0.0 111.017 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 46.92 -173.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.568 0.805 . . . . 0.0 109.993 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.432 ' C ' HG12 ' A' ' 5' ' ' VAL . 41.9 mt-10 -68.06 179.04 1.62 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.453 1.096 . . . . 0.0 110.315 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.454 HG21 ' HG3' ' A' ' 8' ' ' LYS . 2.7 p 42.01 79.7 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.54 1.15 . . . . 0.0 109.317 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -88.12 -11.74 46.11 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.561 1.163 . . . . 0.0 109.973 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -144.85 -45.92 0.23 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.459 1.099 . . . . 0.0 109.283 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.454 ' HG3' HG21 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 78.54 161.0 0.2 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.546 1.154 . . . . 0.0 109.304 -179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.8 tpt180 -122.88 -69.01 0.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 110.311 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.425 HG21 HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -131.87 -44.31 0.97 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 110.339 -179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.3 p -133.39 -149.58 0.37 Allowed 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.502 1.126 . . . . 0.0 108.224 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -116.17 -78.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.247 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -109.11 -163.22 0.85 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.407 1.067 . . . . 0.0 109.975 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.766 HD13 ' OD1' ' A' ' 50' ' ' ASP . 12.4 mt -114.07 102.49 10.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 109.364 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.838 ' O ' HG22 ' A' ' 16' ' ' THR . 9.8 m 69.85 -128.06 0.09 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.512 1.133 . . . . 0.0 110.458 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.838 HG22 ' O ' ' A' ' 15' ' ' THR . 0.8 OUTLIER 69.94 24.3 5.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 0.0 110.379 179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -179.71 76.65 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.512 1.133 . . . . 0.0 110.31 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 ttt-85 -49.64 99.93 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -81.57 145.21 54.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.151 . . . . 0.0 109.316 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.2 Cg_endo -75.04 128.74 11.69 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.704 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -53.13 -38.66 30.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.7 t -56.8 -32.33 65.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.547 1.154 . . . . 0.0 109.976 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 6.0 mmt180 -88.64 -14.0 38.52 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.524 1.14 . . . . 0.0 110.359 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.815 HG22 ' HE1' ' A' ' 63' ' ' MET . 11.0 mt -93.76 143.13 12.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.473 1.108 . . . . 0.0 109.329 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -95.54 -77.64 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -130.93 164.71 24.7 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.487 1.117 . . . . 0.0 110.43 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.496 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 15.8 p90 -131.47 161.26 32.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 111.05 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.48 123.35 17.63 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.529 1.143 . . . . 0.0 110.409 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 87.9 mt -108.11 136.81 42.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.507 1.129 . . . . 0.0 109.235 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 68.1 p -106.77 168.49 9.15 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.384 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -121.06 -19.31 7.22 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.35 -173.18 12.23 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.438 1.086 . . . . 0.0 110.992 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 32' ' ' GLY . 80.2 p -39.16 -29.91 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 0.775 . . . . 0.0 110.019 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.446 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.8 OUTLIER -64.23 -57.9 8.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.32 48.69 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.45 1.094 . . . . 0.0 110.291 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -127.43 156.8 41.51 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 0.0 109.318 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.574 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -96.28 119.43 44.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.117 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.66 HD13 ' HA ' ' A' ' 48' ' ' CYS . 23.3 mm -97.38 132.43 42.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.251 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CE2' HG23 ' A' ' 37' ' ' VAL . 56.1 m-85 -116.21 119.17 34.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.51 1.132 . . . . 0.0 111.02 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.8 mt -97.75 132.32 42.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.3 p -98.03 165.68 11.79 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.475 1.109 . . . . 0.0 110.387 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -43.99 74.62 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.535 1.147 . . . . 0.0 109.348 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.53 ' HD3' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.26 -22.25 11.25 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.56 1.163 . . . . 0.0 110.293 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.07 5.23 47.2 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.53 HD12 ' HD3' ' A' ' 43' ' ' ARG . 0.2 OUTLIER -83.57 130.69 35.0 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.555 0.797 . . . . 0.0 109.32 179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 3.7 ptpt -113.27 125.88 54.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.4 OUTLIER -114.87 167.03 7.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.328 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.66 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -112.63 139.45 48.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 0.0 108.312 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.574 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -136.46 154.03 50.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 0.0 109.298 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.766 ' OD1' HD13 ' A' ' 14' ' ' LEU . 2.9 m-20 -86.0 132.33 44.08 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.563 1.164 . . . . 0.0 109.279 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 0.7 8.56 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.408 1.741 . . . . 0.0 111.043 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 2.2 tm0? -81.96 -11.36 58.9 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.538 1.149 . . . . 0.0 110.28 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.622 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.79 132.71 34.07 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.328 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 20.8 m -70.42 -41.72 72.57 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 0.0 110.466 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.522 ' HZ2' HG23 ' A' ' 15' ' ' THR . 4.7 p-90 -59.74 -33.29 71.46 Favored 'General case' 0 C--N 1.325 -0.477 0 N-CA-C 107.995 -1.113 . . . . 0.0 107.995 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.622 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 74.4 t -68.18 -48.05 75.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.525 1.141 . . . . 0.0 109.396 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.81 -36.39 80.99 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.513 1.133 . . . . 0.0 110.28 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.52 -44.28 71.33 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 2.5 t -68.11 -37.42 78.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.101 . . . . 0.0 109.271 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.549 HG23 ' O ' ' A' ' 56' ' ' VAL . 8.6 t -59.35 -40.18 80.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 2.3 tpp180 -57.87 -43.41 85.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 110.274 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.416 ' O ' ' N ' ' A' ' 65' ' ' ARG . 3.4 t -72.5 -48.73 38.21 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.504 1.128 . . . . 0.0 110.04 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.815 ' HE1' HG22 ' A' ' 24' ' ' ILE . 77.1 mmm -42.29 -44.93 4.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 0.0 110.969 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' N ' ' A' ' 68' ' ' ASN . 13.2 t0 -58.17 -44.04 87.77 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.648 1.217 . . . . 0.0 109.315 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 62' ' ' SER . 4.8 mmt85 -71.01 -37.33 72.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 110.213 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 3.6 tttp -64.02 -35.88 82.15 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.5 t -128.78 47.84 2.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.559 1.162 . . . . 0.0 109.949 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.2 m-20 -83.78 -70.09 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 9.3 t -81.44 -30.68 33.39 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.541 1.151 . . . . 0.0 110.395 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.499 ' O ' ' N ' ' A' ' 72' ' ' ASN . 24.5 mtt180 -59.44 -80.07 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 110.348 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.2 t30 63.47 -75.57 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.529 ' O ' ' C ' ' A' ' 73' ' ' MET . 67.7 m-80 -96.85 -39.23 9.51 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.435 1.085 . . . . 0.0 109.339 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.917 ' O ' HG23 ' A' ' 74' ' ' ILE . 4.2 ptm 26.95 90.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.996 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.917 HG23 ' O ' ' A' ' 73' ' ' MET . 2.0 pp -169.54 159.32 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.559 1.162 . . . . 0.0 109.217 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -128.13 80.12 1.94 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 110.254 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 15.9 m -77.73 104.71 8.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.36 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.23 81.57 44.91 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.05 137.83 22.13 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.578 1.83 . . . . 0.0 110.947 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 7.4 m -108.96 168.55 9.28 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 110.435 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -166.5 95.58 0.12 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.572 1.17 . . . . 0.0 110.957 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.651 HG22 ' H ' ' A' ' 82' ' ' GLN . 10.8 m -84.99 -178.46 6.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 0.767 . . . . 0.0 110.43 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.651 ' H ' HG22 ' A' ' 81' ' ' THR . 0.0 OUTLIER -160.83 171.21 19.18 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.294 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.2 tp60 -158.35 150.09 21.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.352 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 34.8 p -150.8 79.29 1.32 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 0.0 110.061 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 30.6 p -61.18 128.07 34.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.414 ' C ' HG23 ' A' ' 87' ' ' THR . 3.6 t-20 -101.39 160.03 14.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.562 1.164 . . . . 0.0 109.328 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.414 HG23 ' C ' ' A' ' 86' ' ' ASN . 65.3 p -150.67 167.78 26.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.133 . . . . 0.0 110.471 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -173.77 75.69 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.53 1.144 . . . . 0.0 109.311 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.507 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.7 p -132.29 111.6 18.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 48.0 m -139.93 152.92 46.76 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 110.416 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.51 146.88 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.457 1.098 . . . . 0.0 109.244 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.5 t -119.87 136.88 54.32 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.4 1.062 . . . . 0.0 110.375 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 O-C-N 124.471 1.107 . . . . 0.0 111.042 -179.985 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 74.7 t . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.297 -0.631 . . . . 0.0 109.297 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -177.53 137.74 3.57 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.525 1.14 . . . . 0.0 111.046 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.471 ' O ' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -160.69 -64.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 0.759 . . . . 0.0 109.985 179.993 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 3' ' ' SER . 3.8 pt-20 -33.0 102.37 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.437 1.086 . . . . 0.0 110.344 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.534 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.4 OUTLIER -155.48 170.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.344 -179.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 88.22 -22.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.45 1.094 . . . . 0.0 110.028 179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.74 -30.34 16.32 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.49 1.119 . . . . 0.0 109.334 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -107.51 -176.82 3.17 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 1.092 . . . . 0.0 109.338 -179.973 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' N ' ' HG3' ' A' ' 8' ' ' LYS . 6.7 tpt180 -129.66 -68.27 0.73 Allowed 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.543 1.152 . . . . 0.0 110.35 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.56 -45.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 0.0 110.432 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.0 p -117.02 -164.22 0.97 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.527 1.142 . . . . 0.0 108.29 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -102.93 -78.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.407 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.1 OUTLIER -112.17 -163.39 0.85 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.575 1.172 . . . . 0.0 110.006 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.542 HD13 ' OD2' ' A' ' 50' ' ' ASP . 9.1 mt -109.85 101.02 9.92 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.594 ' O ' HG22 ' A' ' 16' ' ' THR . 2.7 m 73.18 -136.56 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.397 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.594 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 81.41 -4.45 1.63 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.477 1.111 . . . . 0.0 110.443 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.2 pt20 -138.65 93.01 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.522 ' HG2' ' CD2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -67.79 66.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.9 OUTLIER -62.35 139.04 96.42 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.574 1.171 . . . . 0.0 109.277 179.977 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.1 Cg_endo -75.06 132.56 15.48 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.525 1.803 . . . . 0.0 110.938 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.452 ' CG2' ' HG2' ' A' ' 63' ' ' MET . 0.3 OUTLIER -50.92 -33.2 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.309 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.32 -41.35 75.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 110.034 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.37 14.2 8.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 110.347 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.483 HG22 ' HE1' ' A' ' 63' ' ' MET . 68.4 mt -116.32 145.02 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.236 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.82 -75.34 0.59 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.16 178.25 6.71 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.494 1.121 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.469 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.1 p90 -142.55 154.99 44.94 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 110.959 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.406 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.7 OUTLIER -132.79 122.73 24.93 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.52 1.137 . . . . 0.0 110.42 179.957 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.715 HG12 HG12 ' A' ' 37' ' ' VAL . 49.0 mt -108.69 136.4 44.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.537 1.148 . . . . 0.0 109.3 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 71.7 p -98.07 164.82 12.18 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 0.0 110.386 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.409 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -118.19 -18.57 9.29 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.55 1.156 . . . . 0.0 110.251 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.409 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.56 -168.99 0.03 OUTLIER Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.467 1.105 . . . . 0.0 110.975 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.54 -10.54 18.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.554 0.796 . . . . 0.0 109.947 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.428 HD11 ' CB ' ' A' ' 36' ' ' ALA . 1.7 tp -84.32 -49.7 8.5 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.527 1.142 . . . . 0.0 109.281 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 39.61 61.1 1.47 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.533 1.146 . . . . 0.0 110.342 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.428 ' CB ' HD11 ' A' ' 34' ' ' LEU . . . -119.58 156.52 30.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.571 1.17 . . . . 0.0 109.269 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.783 HG22 ' O ' ' A' ' 49' ' ' ALA . 30.0 m -96.13 131.5 42.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.307 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.652 HD13 ' HA ' ' A' ' 48' ' ' CYS . 10.7 mm -108.78 132.04 57.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.11 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 33.8 m-85 -112.6 117.24 31.75 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.578 1.173 . . . . 0.0 110.998 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 6.6 mt -98.41 126.15 51.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.298 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.401 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.1 p -91.18 165.18 13.61 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.452 1.095 . . . . 0.0 110.338 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 9.3 mmtt -60.32 -33.16 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.158 . . . . 0.0 109.256 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.35 -23.22 66.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.48 1.112 . . . . 0.0 110.243 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 106.87 0.79 36.36 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.486 1.116 . . . . 0.0 111.004 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.03 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -82.06 132.13 35.25 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.477 0.751 . . . . 0.0 109.282 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 1.03 ' N ' HD12 ' A' ' 45' ' ' LEU . 5.1 ptpt -117.51 126.23 52.23 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.462 1.102 . . . . 0.0 109.258 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.418 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -120.05 156.46 22.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.341 179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.652 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.5 p -105.57 144.53 32.19 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.551 1.157 . . . . 0.0 108.271 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.783 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -145.29 154.74 42.68 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.548 1.155 . . . . 0.0 109.274 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.542 ' OD2' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -82.01 135.9 47.75 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 109.302 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 2.89 6.07 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.454 1.765 . . . . 0.0 111.012 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -81.32 -11.35 59.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -85.85 133.7 33.95 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.52 1.137 . . . . 0.0 109.367 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -69.92 -40.98 75.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.433 1.083 . . . . 0.0 110.41 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.569 ' CE2' HG23 ' A' ' 56' ' ' VAL . 5.4 p-90 -60.37 -44.76 95.31 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.486 1.116 . . . . 0.0 108.016 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.569 HG23 ' CE2' ' A' ' 55' ' ' TRP . 6.6 t -57.22 -48.46 82.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 1.7 mtt180 -67.2 -33.01 74.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.304 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -65.07 -46.85 79.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.469 1.105 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.533 HG22 ' O ' ' A' ' 56' ' ' VAL . 32.9 m -70.03 -36.75 70.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 109.322 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.22 -40.31 80.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.21 -46.79 87.5 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.498 1.123 . . . . 0.0 110.303 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.8 OUTLIER -73.41 -39.41 65.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.414 1.071 . . . . 0.0 110.011 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.483 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -41.54 -40.59 1.89 Allowed 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.481 1.113 . . . . 0.0 111.005 -179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.405 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.2 t0 -57.85 -45.27 86.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.333 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.3 OUTLIER -69.93 -39.59 76.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.355 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.61 -35.67 81.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 47.8 t -123.91 47.08 2.11 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.567 1.167 . . . . 0.0 109.896 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.8 OUTLIER -66.31 -52.6 45.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.309 179.927 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -38.41 -57.69 1.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 72' ' ' ASN . 13.0 ttt85 -54.65 -62.14 1.85 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.489 1.118 . . . . 0.0 110.326 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 69.14 -66.31 0.26 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.504 1.127 . . . . 0.0 109.269 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 70' ' ' ARG . 44.3 m-20 -172.43 34.1 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 109.33 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.28 -57.41 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 111.016 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.2 pt -140.21 132.15 32.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.263 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -107.64 63.42 0.62 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.442 1.089 . . . . 0.0 110.321 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.3 m -57.6 134.8 56.47 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.449 1.093 . . . . 0.0 110.43 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -162.74 85.75 1.43 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.93 154.76 43.09 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.494 1.786 . . . . 0.0 110.969 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.1 m -120.8 164.43 16.63 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.567 1.167 . . . . 0.0 110.386 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -110.82 -117.11 3.74 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.489 1.118 . . . . 0.0 110.997 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.5 HG23 ' N ' ' A' ' 82' ' ' GLN . 8.9 t -165.23 -144.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 0.774 . . . . 0.0 110.388 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.5 ' N ' HG23 ' A' ' 81' ' ' THR . 1.7 tt0 -156.15 173.13 17.28 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -145.92 157.35 43.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.258 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 3.0 t -138.68 149.55 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.472 1.107 . . . . 0.0 110.035 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 62.8 p -89.26 179.58 6.08 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 110.382 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -160.61 161.62 32.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 0.0 109.26 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.7 p -145.53 168.89 19.51 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 1.081 . . . . 0.0 110.325 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -174.94 108.91 0.11 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.261 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.427 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.4 p -155.91 118.85 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.491 1.119 . . . . 0.0 109.271 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 14.6 t -99.13 164.73 12.04 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.528 1.143 . . . . 0.0 110.336 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.798 ' O ' HG22 ' A' ' 92' ' ' THR . 0.4 OUTLIER -59.25 179.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.486 1.116 . . . . 0.0 109.328 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.798 HG22 ' O ' ' A' ' 91' ' ' LEU . 14.2 t 52.06 169.37 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.452 1.095 . . . . 0.0 110.406 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.477 1.111 . . . . 0.0 110.976 179.958 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.511 HG13 ' O ' ' A' ' 1' ' ' VAL . 14.2 p . . . . . 0 N--CA 1.452 -0.344 0 N-CA-C 109.325 -0.62 . . . . 0.0 109.325 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 152.06 -142.15 9.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.455 1.097 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.9 138.19 49.94 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.459 0.741 . . . . 0.0 110.001 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.19 174.42 7.15 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.552 1.158 . . . . 0.0 110.322 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.51 ' O ' ' CB ' ' A' ' 6' ' ' SER . 17.4 t -120.59 164.1 17.47 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.478 1.112 . . . . 0.0 109.346 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 86.39 -17.55 0.37 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.435 ' CG ' ' N ' ' A' ' 8' ' ' LYS . 12.9 p-10 -108.43 -52.37 2.77 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.435 ' N ' ' CG ' ' A' ' 7' ' ' ASP . 9.1 ptmt -41.41 -39.31 1.44 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 16.8 ttt180 -65.35 -58.53 5.67 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 8.2 m -151.56 -78.71 0.12 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.521 1.138 . . . . 0.0 110.418 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 13.9 p -178.23 -156.96 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.488 1.118 . . . . 0.0 108.255 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.6 t -108.35 -76.48 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.137 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.412 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 52.0 p -115.52 -163.51 0.89 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.011 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.487 HD23 ' HA ' ' A' ' 14' ' ' LEU . 12.6 mt -102.81 102.26 12.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.125 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.684 ' O ' HG22 ' A' ' 16' ' ' THR . 2.3 m 67.92 -134.47 0.11 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.508 1.13 . . . . 0.0 110.377 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.684 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.42 -0.36 1.12 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.526 1.141 . . . . 0.0 110.413 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -137.21 77.63 1.65 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.549 1.156 . . . . 0.0 110.327 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.595 ' HA ' ' CH2' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -68.41 85.61 0.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.298 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.782 HD11 HG12 ' A' ' 24' ' ' ILE . 2.3 pt? -92.57 154.2 42.48 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 136.88 20.94 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.48 1.779 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.933 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.67 -34.86 16.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.534 1.146 . . . . 0.0 109.288 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -62.46 -19.26 63.35 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.445 1.09 . . . . 0.0 110.021 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.438 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 1.3 mpt_? -96.23 -11.75 25.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 110.261 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.933 HD12 ' HA ' ' A' ' 21' ' ' VAL . 5.7 mt -97.88 152.03 4.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.545 1.153 . . . . 0.0 109.336 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' HD3' ' CG ' ' A' ' 42' ' ' LYS . 0.8 OUTLIER -102.08 -83.78 0.46 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.288 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.58 ' CG2' HD12 ' A' ' 40' ' ' ILE . 9.2 t -118.79 177.93 4.66 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.404 -179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.524 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 2.7 p90 -143.62 159.54 42.27 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -143.78 123.58 13.43 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 0.0 110.391 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 96.6 mt -113.51 137.12 47.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 24.8 p -105.37 170.33 7.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.442 1.089 . . . . 0.0 110.395 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.79 -19.55 7.94 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.646 1.216 . . . . 0.0 110.264 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.43 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.42 -174.0 18.51 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.522 1.139 . . . . 0.0 110.973 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 1.2 m -40.2 -29.24 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.533 0.784 . . . . 0.0 110.021 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.507 HD22 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -62.67 -61.18 2.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.441 1.088 . . . . 0.0 109.259 179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.47 ' CZ ' ' HG2' ' A' ' 51' ' ' PRO . 0.0 OUTLIER 36.43 47.23 0.48 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 110.367 -179.883 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -122.62 156.39 34.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.133 . . . . 0.0 109.317 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.607 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.3 m -96.62 119.21 44.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.429 1.081 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 48' ' ' CYS . 17.2 mm -98.69 119.3 46.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.092 . . . . 0.0 109.359 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.418 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 8.5 m-85 -101.87 117.59 35.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.455 1.097 . . . . 0.0 110.976 -179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.58 HD12 ' CG2' ' A' ' 26' ' ' THR . 3.7 mt -101.48 127.59 54.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.479 1.112 . . . . 0.0 109.339 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.49 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 0.7 OUTLIER -99.1 165.87 11.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.441 1.088 . . . . 0.0 110.381 -179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.438 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.3 mtmp? -61.89 -21.21 64.53 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.222 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.22 -19.24 59.88 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.273 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.66 -1.24 58.24 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.412 1.07 . . . . 0.0 111.063 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.69 HD11 HG23 ' A' ' 47' ' ' VAL . 0.5 OUTLIER -80.47 117.51 21.27 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.576 0.809 . . . . 0.0 109.215 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.617 ' N ' HD12 ' A' ' 45' ' ' LEU . 1.5 mtmm -104.6 134.21 48.15 Favored 'General case' 0 C--N 1.326 -0.421 0 O-C-N 124.47 1.106 . . . . 0.0 109.281 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.69 HG23 HD11 ' A' ' 45' ' ' LEU . 2.1 t -133.37 148.64 30.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.486 1.116 . . . . 0.0 109.354 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.504 ' HA ' HD13 ' A' ' 38' ' ' ILE . 9.7 p -97.05 153.64 17.81 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 108.282 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.607 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -152.0 155.03 37.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.401 ' O ' HG11 ' A' ' 56' ' ' VAL . 0.9 OUTLIER -80.86 133.46 55.01 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.519 1.137 . . . . 0.0 109.249 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.47 ' HG2' ' CZ ' ' A' ' 35' ' ' ARG . 18.3 Cg_endo -74.99 2.46 6.6 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.475 1.776 . . . . 0.0 111.01 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.4 -20.48 40.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.446 1.091 . . . . 0.0 110.333 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.779 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -71.9 132.45 44.39 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.511 ' HA ' ' CD ' ' A' ' 57' ' ' ARG . 79.5 m -67.22 -37.08 83.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 1.144 . . . . 0.0 110.433 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.595 ' CH2' ' HA ' ' A' ' 18' ' ' ARG . 6.1 p-90 -72.73 -39.07 67.21 Favored 'General case' 0 C--N 1.325 -0.498 0 N-CA-C 107.964 -1.125 . . . . 0.0 107.964 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.779 ' HB ' ' HB3' ' A' ' 53' ' ' ALA . 39.5 t -61.12 -51.46 72.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 0.0 109.263 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.511 ' CD ' ' HA ' ' A' ' 54' ' ' THR . 8.0 ptt85 -67.64 -32.59 73.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 110.302 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.411 ' HB2' ' O ' ' A' ' 54' ' ' THR . 1.2 m-20 -69.74 -41.54 75.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 109.29 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.874 HG13 HG23 ' A' ' 21' ' ' VAL . 5.9 t -67.22 -37.13 78.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.165 . . . . 0.0 109.287 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.425 HG23 ' O ' ' A' ' 56' ' ' VAL . 7.1 t -58.97 -40.54 80.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 O-C-N 124.495 1.122 . . . . 0.0 109.335 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -60.97 -46.34 91.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.459 1.099 . . . . 0.0 110.361 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.25 -39.19 65.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.527 1.142 . . . . 0.0 110.031 179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.491 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.0 OUTLIER -41.29 -32.7 0.31 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 111.021 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -58.07 -45.99 86.19 Favored 'General case' 0 C--N 1.326 -0.417 0 O-C-N 124.483 1.115 . . . . 0.0 109.294 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.448 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -38.24 71.8 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.511 1.132 . . . . 0.0 110.31 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.4 -35.27 79.87 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.113 . . . . 0.0 109.274 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -108.29 37.05 2.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.999 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -48.55 -53.54 17.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.507 HG23 ' O ' ' A' ' 69' ' ' THR . 13.4 t -101.32 45.72 0.96 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 110.412 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.462 ' CG ' ' N ' ' A' ' 71' ' ' ASN . 0.5 OUTLIER -46.05 -44.47 15.39 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.265 -179.968 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.462 ' N ' ' CG ' ' A' ' 70' ' ' ARG . 10.8 m-20 50.07 62.55 2.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.281 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 73' ' ' MET . 24.7 m-80 40.27 66.28 0.64 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.681 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -36.49 -50.47 0.78 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.507 1.13 . . . . 0.0 111.056 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.681 HG23 ' O ' ' A' ' 73' ' ' MET . 1.0 OUTLIER -159.03 137.12 2.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.468 1.105 . . . . 0.0 109.217 179.934 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -108.92 61.94 0.6 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.516 1.135 . . . . 0.0 110.354 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 32.1 p -78.82 137.18 37.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 110.444 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -144.76 146.9 33.49 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.485 1.116 . . . . 0.0 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -75.08 161.59 38.29 Favored 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.525 1.803 . . . . 0.0 110.948 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.472 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 10.0 t -134.41 -164.65 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 110.443 179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.472 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . 162.97 100.6 0.15 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.514 1.134 . . . . 0.0 111.017 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -79.94 168.59 19.02 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.461 0.742 . . . . 0.0 110.429 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.17 147.17 52.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.507 1.129 . . . . 0.0 110.312 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -128.31 161.43 29.42 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.511 1.132 . . . . 0.0 110.297 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -157.06 160.07 38.55 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.466 1.104 . . . . 0.0 109.954 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.0 m -135.18 157.93 45.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.434 1.084 . . . . 0.0 110.427 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -120.05 167.73 11.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.206 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.41 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 55.8 p -120.95 -178.95 3.87 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.536 1.148 . . . . 0.0 110.378 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.41 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.77 89.72 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.442 1.089 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.443 ' O ' HG13 ' A' ' 89' ' ' VAL . 7.7 p -124.27 117.08 49.64 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.555 1.16 . . . . 0.0 109.324 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 46.0 m -111.14 148.71 32.15 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.531 1.144 . . . . 0.0 110.42 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -104.77 121.86 44.51 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -39.42 151.97 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.41 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.565 1.166 . . . . 0.0 110.989 -179.953 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 80.6 t . . . . . 0 N--CA 1.452 -0.345 0 N-CA-C 109.327 -0.619 . . . . 0.0 109.327 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 49.63 -179.62 0.02 OUTLIER Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -79.22 -179.92 7.02 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 0.761 . . . . 0.0 110.018 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.9 mt-10 -83.79 142.56 30.57 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.456 1.098 . . . . 0.0 110.311 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.474 ' O ' ' CB ' ' A' ' 6' ' ' SER . 93.8 t -151.15 154.65 8.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.229 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.1 OUTLIER 83.41 -11.74 0.9 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.533 1.146 . . . . 0.0 110.052 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -106.35 -32.21 8.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.31 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.63 167.1 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.156 . . . . 0.0 109.336 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -129.53 -69.15 0.7 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -102.92 -48.9 3.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 110.382 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.416 ' SG ' ' O ' ' A' ' 13' ' ' SER . 6.1 p -134.7 -159.39 0.96 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 108.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 80.4 t -91.16 -83.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.416 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 3.7 t -115.56 -163.16 0.87 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 1.117 . . . . 0.0 109.976 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.656 HD13 ' OD1' ' A' ' 50' ' ' ASP . 11.9 mt -101.0 105.1 16.29 Favored 'General case' 0 C--N 1.324 -0.536 0 O-C-N 124.498 1.124 . . . . 0.0 109.309 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.623 ' O ' HG22 ' A' ' 16' ' ' THR . 2.7 m 76.98 -133.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 0.0 110.415 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.08 13.78 0.4 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.569 1.168 . . . . 0.0 110.434 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -176.39 111.22 0.1 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -87.2 79.57 8.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.156 . . . . 0.0 110.287 179.994 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.842 HD11 HG12 ' A' ' 24' ' ' ILE . 1.1 pt? -65.26 150.9 95.02 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.339 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 134.38 17.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.53 1.805 . . . . 0.0 111.017 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.875 ' HA ' HD12 ' A' ' 24' ' ' ILE . 65.5 t -52.64 -35.39 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.71 -20.23 55.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.891 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -96.67 -14.5 22.05 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.527 1.142 . . . . 0.0 110.272 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.875 HD12 ' HA ' ' A' ' 21' ' ' VAL . 30.5 mt -85.92 152.47 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 109.303 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.414 ' HB2' ' N ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -119.98 -70.35 0.79 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.305 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.58 HG22 ' HB ' ' A' ' 40' ' ' ILE . 12.5 t -123.65 163.5 20.93 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.549 1.156 . . . . 0.0 110.39 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.468 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 5.7 p90 -139.39 151.75 46.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.947 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.8 m -132.72 120.11 21.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.573 1.171 . . . . 0.0 110.399 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.07 HG23 HG12 ' A' ' 37' ' ' VAL . 1.4 mm -110.6 137.6 42.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.335 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.4 p -110.31 157.78 19.13 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.478 1.111 . . . . 0.0 110.425 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -114.48 -22.61 9.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.459 1.1 . . . . 0.0 110.291 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.509 ' O ' ' CB ' ' A' ' 33' ' ' SER . . . -149.39 144.91 12.65 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.429 1.081 . . . . 0.0 111.002 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.509 ' CB ' ' O ' ' A' ' 32' ' ' GLY . 2.4 t 85.99 -40.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 0.797 . . . . 0.0 109.992 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 mt -119.36 -48.67 2.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.54 1.15 . . . . 0.0 109.29 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm180 45.18 30.81 0.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.542 1.151 . . . . 0.0 110.287 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -129.45 158.21 39.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 109.315 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.07 HG12 HG23 ' A' ' 29' ' ' ILE . 5.1 m -95.14 132.41 39.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.419 1.074 . . . . 0.0 109.3 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.583 HD13 ' HA ' ' A' ' 48' ' ' CYS . 40.9 mm -112.41 111.54 36.59 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.461 ' HB2' HG12 ' A' ' 47' ' ' VAL . 3.0 m-85 -92.23 119.21 31.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 111.033 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.58 ' HB ' HG22 ' A' ' 26' ' ' THR . 3.6 mt -105.37 135.1 44.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.148 . . . . 0.0 109.407 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 2.0 p -98.68 165.14 11.94 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.51 1.131 . . . . 0.0 110.383 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.414 ' N ' ' HB2' ' A' ' 25' ' ' LYS . 0.1 OUTLIER -64.47 -17.94 64.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -76.96 -20.19 56.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.105 . . . . 0.0 110.311 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.84 8.92 53.66 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.532 1.145 . . . . 0.0 111.059 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -84.13 115.88 22.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.579 0.811 . . . . 0.0 109.352 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.533 ' HE3' HD11 ' A' ' 40' ' ' ILE . 52.5 mtpt -92.96 135.7 33.92 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.461 1.101 . . . . 0.0 109.34 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.567 ' O ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -133.72 169.18 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.584 1.177 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.583 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -123.46 149.96 44.44 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.43 1.081 . . . . 0.0 108.323 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.618 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.51 155.67 36.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 0.0 109.269 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.656 ' OD1' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -84.32 131.92 49.04 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 109.238 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.432 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.06 1.95 7.2 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -81.83 -15.33 54.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 110.27 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.477 ' HB1' ' CD1' ' A' ' 55' ' ' TRP . . . -79.17 133.39 36.72 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.559 1.162 . . . . 0.0 109.358 179.928 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.3 m -70.29 -39.46 74.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.356 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.635 ' CE2' HG23 ' A' ' 56' ' ' VAL . 28.6 p-90 -59.81 -37.83 80.27 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 107.957 -1.127 . . . . 0.0 107.957 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.635 HG23 ' CE2' ' A' ' 55' ' ' TRP . 4.9 t -65.58 -48.32 83.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.136 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.56 -35.58 80.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.422 1.076 . . . . 0.0 110.266 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -69.91 -43.97 70.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.565 1.166 . . . . 0.0 109.278 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.733 HG13 HG22 ' A' ' 21' ' ' VAL . 2.9 t -63.55 -37.19 78.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.421 1.075 . . . . 0.0 109.254 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.8 t -59.69 -40.52 82.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.208 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 3.4 tmt_? -60.62 -46.33 90.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 0.0 110.352 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.46 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.4 OUTLIER -73.16 -42.36 62.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.585 1.178 . . . . 0.0 109.937 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.43 ' HG3' HG12 ' A' ' 59' ' ' VAL . 0.1 OUTLIER -41.85 -29.72 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.977 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' O ' ' N ' ' A' ' 68' ' ' ASN . 8.0 t0 -64.36 -46.73 82.16 Favored 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.466 1.104 . . . . 0.0 109.25 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.46 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.1 ptt180 -71.17 -29.6 65.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.159 . . . . 0.0 110.346 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.63 -36.12 70.64 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 109.293 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 34.3 t -127.88 45.76 2.68 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.601 1.188 . . . . 0.0 109.998 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.43 ' N ' ' O ' ' A' ' 64' ' ' ASP . 1.1 t-20 -67.96 -62.62 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.667 ' O ' HG22 ' A' ' 69' ' ' THR . 1.3 m -153.18 67.66 0.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 46.1 ttt180 -45.16 -63.69 0.88 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.243 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.459 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 18.0 m120 -46.05 139.02 4.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.467 ' O ' ' N ' ' A' ' 74' ' ' ILE . 3.9 m120 79.32 -54.59 0.43 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.239 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.85 ' CG ' HG23 ' A' ' 74' ' ' ILE . 0.2 OUTLIER 63.16 -74.81 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.575 1.172 . . . . 0.0 110.985 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.85 HG23 ' CG ' ' A' ' 73' ' ' MET . 1.8 pp -131.77 151.59 35.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.409 1.068 . . . . 0.0 109.267 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.4 ' C ' HG22 ' A' ' 76' ' ' THR . 45.6 mt-30 -120.1 79.63 1.49 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.276 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.4 HG22 ' C ' ' A' ' 75' ' ' GLN . 0.7 OUTLIER 38.7 78.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.464 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -42.98 158.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 109.333 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 138.84 23.46 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.42 1.747 . . . . 0.0 110.995 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.53 HG22 ' H ' ' A' ' 80' ' ' GLY . 9.2 m -60.3 176.27 0.36 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.097 . . . . 0.0 110.389 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.53 ' H ' HG22 ' A' ' 79' ' ' THR . . . -177.37 91.69 0.08 OUTLIER Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.517 1.136 . . . . 0.0 111.022 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 m -89.57 166.73 13.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.493 0.761 . . . . 0.0 110.351 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -119.94 -172.66 2.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.337 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -103.76 147.65 27.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 36.0 m -107.89 173.87 6.13 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.469 1.106 . . . . 0.0 110.022 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.0 m -114.87 164.11 14.58 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.42 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -118.99 163.74 16.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 65.8 p -110.38 177.72 4.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.492 1.12 . . . . 0.0 110.442 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -178.49 90.96 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.261 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.58 125.96 50.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.512 1.133 . . . . 0.0 109.229 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.4 t -67.58 169.91 8.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.441 1.088 . . . . 0.0 110.42 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.834 HD12 HG23 ' A' ' 92' ' ' THR . 0.6 OUTLIER -109.96 116.83 32.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.285 -179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.834 HG23 HD12 ' A' ' 91' ' ' LEU . 65.6 p 35.57 -146.43 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.517 1.136 . . . . 0.0 110.434 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.57 1.168 . . . . 0.0 111.02 179.933 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.452 -0.348 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -65.06 -143.7 0.03 OUTLIER Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.547 1.154 . . . . 0.0 110.975 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 47.69 -174.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 0.0 109.998 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -90.17 128.02 36.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.427 1.079 . . . . 0.0 110.244 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.589 ' O ' ' CB ' ' A' ' 6' ' ' SER . 0.5 OUTLIER -149.96 144.47 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 O-C-N 124.441 1.088 . . . . 0.0 109.272 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.589 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 1.6 m 151.53 -20.03 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.493 1.121 . . . . 0.0 109.99 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.402 ' O ' ' O ' ' A' ' 8' ' ' LYS . 0.3 OUTLIER -120.15 -29.86 4.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.323 -179.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.402 ' O ' ' O ' ' A' ' 7' ' ' ASP . 0.8 OUTLIER -44.2 166.69 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.459 1.1 . . . . 0.0 109.304 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -128.31 -68.55 0.76 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.445 1.091 . . . . 0.0 110.315 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.519 HG21 HD12 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -103.43 -54.46 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.382 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 13' ' ' SER . 12.0 p -132.86 -153.82 0.57 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 108.271 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 81.0 t -100.94 -78.0 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 109.268 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.406 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 4.9 m -118.01 -163.11 0.92 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.492 1.12 . . . . 0.0 110.017 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.446 HD13 ' OD2' ' A' ' 50' ' ' ASP . 14.9 mt -104.81 105.06 14.97 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.105 . . . . 0.0 109.364 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.739 ' O ' HG22 ' A' ' 16' ' ' THR . 5.0 m 76.1 -131.59 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.474 1.108 . . . . 0.0 110.389 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.739 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 78.72 -1.6 2.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.515 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 2.5 pt20 -155.86 68.66 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.352 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HD2' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -58.6 97.62 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 110.276 -179.912 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.724 HD11 HG12 ' A' ' 24' ' ' ILE . 2.5 pt? -92.03 154.56 43.4 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.088 . . . . 0.0 109.26 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.09 141.5 26.46 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.412 1.743 . . . . 0.0 110.994 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.838 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -52.03 -34.08 17.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.458 1.098 . . . . 0.0 109.282 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 t -64.68 -19.8 65.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.018 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.481 ' O ' ' NZ ' ' A' ' 42' ' ' LYS . 5.5 mpt_? -98.78 10.06 42.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 110.279 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.838 HD12 ' HA ' ' A' ' 21' ' ' VAL . 11.1 mt -118.69 152.66 20.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 0.0 109.333 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -105.78 -75.01 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.486 1.116 . . . . 0.0 109.347 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -124.82 165.32 18.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.092 . . . . 0.0 110.441 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.549 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 8.6 p90 -137.14 155.2 49.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -139.81 119.91 13.68 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.411 1.069 . . . . 0.0 110.393 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.964 HG23 HG12 ' A' ' 37' ' ' VAL . 1.7 mm -102.0 137.03 31.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.53 1.143 . . . . 0.0 109.333 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 2.5 p -107.7 160.0 16.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.437 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.18 -19.78 8.24 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.241 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -67.86 -171.02 5.59 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.444 1.09 . . . . 0.0 110.979 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -43.98 -26.82 0.31 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.466 0.745 . . . . 0.0 109.98 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.418 ' O ' ' C ' ' A' ' 35' ' ' ARG . 1.9 mt -65.87 -54.74 22.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.242 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER 36.99 54.21 1.18 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.96 157.25 47.16 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.312 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.964 HG12 HG23 ' A' ' 29' ' ' ILE . 5.0 m -95.78 124.09 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.137 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.519 HD12 HG21 ' A' ' 10' ' ' THR . 35.8 mm -100.24 113.14 34.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.509 1.131 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.402 ' HB2' HG12 ' A' ' 47' ' ' VAL . 17.1 m-85 -97.73 120.35 37.95 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.473 1.108 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.1 mt -106.78 139.2 29.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 18.2 p -98.87 168.84 9.87 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 110.348 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.481 ' NZ ' ' O ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -70.34 -16.76 63.03 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.426 1.079 . . . . 0.0 109.239 179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.38 -17.83 47.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.282 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.2 -0.83 43.87 Favored Glycine 0 CA--C 1.529 0.92 0 O-C-N 124.485 1.116 . . . . 0.0 111.01 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.37 116.47 20.45 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.396 0.703 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 8.0 ptmt -105.24 137.56 42.83 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.402 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.5 OUTLIER -132.4 170.79 19.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.7 m -116.4 153.89 31.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 0.0 108.268 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.24 154.89 35.54 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.575 1.172 . . . . 0.0 109.307 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.446 ' OD2' HD13 ' A' ' 14' ' ' LEU . 0.6 OUTLIER -85.51 129.2 56.06 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 109.327 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 3.59 5.45 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.535 1.808 . . . . 0.0 111.019 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.1 -15.26 56.46 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 110.281 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.443 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.4 135.7 34.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 1.132 . . . . 0.0 109.338 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.5 m -69.9 -41.14 75.12 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 110.297 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CE3' ' HD2' ' A' ' 18' ' ' ARG . 20.6 p-90 -60.68 -42.01 96.24 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 107.999 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.568 ' O ' HG22 ' A' ' 59' ' ' VAL . 36.0 t -58.31 -48.8 83.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.82 -33.11 74.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.416 1.073 . . . . 0.0 110.295 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.91 -46.34 82.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.442 1.089 . . . . 0.0 109.384 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.568 HG22 ' O ' ' A' ' 56' ' ' VAL . 33.7 m -69.29 -36.11 70.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.516 1.135 . . . . 0.0 109.269 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -57.07 -41.32 77.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 109.362 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.86 -45.23 93.11 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.422 1.076 . . . . 0.0 110.339 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.5 OUTLIER -73.85 -38.59 64.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.11 . . . . 0.0 109.942 -179.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.549 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 46.7 mmm -43.58 -37.71 2.65 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.587 1.179 . . . . 0.0 111.005 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.444 ' O ' ' N ' ' A' ' 68' ' ' ASN . 17.8 t0 -57.79 -40.57 80.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.441 1.088 . . . . 0.0 109.203 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' SER . 9.3 ttm180 -70.19 -39.56 75.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.434 1.084 . . . . 0.0 110.293 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' CA ' ' HE2' ' A' ' 66' ' ' LYS . 0.0 OUTLIER -60.47 -35.98 77.18 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.143 . . . . 0.0 109.338 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 25.0 t -130.98 49.98 2.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.015 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.444 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -84.69 -56.6 3.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -91.27 -42.88 10.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.459 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.21 -29.44 0.39 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.28 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 14.6 t30 -68.98 -59.09 3.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.324 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -91.06 48.92 1.57 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.509 1.13 . . . . 0.0 109.325 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.56 111.69 23.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.48 173.25 13.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.489 1.118 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.6 pt20 -109.37 62.1 0.6 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.598 1.186 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 1.9 m -141.7 87.87 2.09 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.495 1.122 . . . . 0.0 110.41 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -154.84 79.51 4.69 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.438 1.086 . . . . 0.0 109.269 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 138.03 22.48 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.512 1.796 . . . . 0.0 111.039 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.427 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 9.9 t -155.92 -162.68 1.34 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 0.0 110.409 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.427 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . 88.62 112.84 1.2 Allowed Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.474 1.109 . . . . 0.0 111.045 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.513 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 0.0 OUTLIER -136.78 175.94 9.16 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 0.764 . . . . 0.0 110.435 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.513 ' N ' ' OG1' ' A' ' 81' ' ' THR . 2.3 tp60 -169.78 143.8 2.71 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.44 1.088 . . . . 0.0 110.283 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.411 ' HG3' ' N ' ' A' ' 84' ' ' SER . 8.0 tp60 -137.28 144.3 42.61 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.12 . . . . 0.0 110.276 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . 0.411 ' N ' ' HG3' ' A' ' 83' ' ' GLN . 0.1 OUTLIER 174.8 155.79 0.15 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.492 1.12 . . . . 0.0 109.999 -179.966 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -147.33 -164.23 1.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 110.414 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -93.77 157.85 15.95 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.469 1.106 . . . . 0.0 109.293 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.0 p -127.38 164.27 22.2 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 0.0 110.386 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -179.46 99.22 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.481 ' O ' HG13 ' A' ' 89' ' ' VAL . 12.8 p -147.08 109.7 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.555 1.16 . . . . 0.0 109.303 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 1.9 m -142.81 157.86 44.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.45 1.094 . . . . 0.0 110.414 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.548 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -111.24 129.25 56.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.521 1.138 . . . . 0.0 109.343 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.548 ' N ' HD12 ' A' ' 91' ' ' LEU . 59.2 p -59.68 174.87 0.41 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.532 1.145 . . . . 0.0 110.443 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.518 1.136 . . . . 0.0 111.004 -179.931 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 66.3 t . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 161.97 170.63 26.99 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.538 1.149 . . . . 0.0 110.999 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -163.92 178.08 8.04 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.495 0.762 . . . . 0.0 109.997 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.8 pt-20 -93.78 133.88 36.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.512 1.133 . . . . 0.0 110.295 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.541 ' O ' ' CB ' ' A' ' 6' ' ' SER . 8.2 p -129.22 161.65 38.2 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.541 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.3 OUTLIER 88.29 -22.94 0.12 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.012 179.996 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 t0 -92.7 -40.65 10.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.482 ' HE2' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -49.88 -31.82 13.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.536 1.148 . . . . 0.0 109.289 -179.953 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.81 -69.42 0.12 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.507 1.129 . . . . 0.0 110.24 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.769 HG21 HD12 ' A' ' 38' ' ' ILE . 1.1 m -166.81 -44.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 110.41 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.437 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 7.6 p -141.76 -159.46 0.97 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 108.279 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 76.9 t -96.83 -83.71 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 O-C-N 124.539 1.149 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.432 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -108.72 -163.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 110.023 179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.504 HD13 ' OD1' ' A' ' 50' ' ' ASP . 12.0 mt -108.5 105.23 14.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.582 1.176 . . . . 0.0 109.266 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.615 ' O ' HG22 ' A' ' 16' ' ' THR . 4.9 m 75.47 -130.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.136 . . . . 0.0 110.437 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.624 HG23 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 79.76 18.18 0.72 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.5 1.125 . . . . 0.0 110.476 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 14.2 tt0 -176.16 111.69 0.1 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.46 1.1 . . . . 0.0 110.343 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.1 OUTLIER -77.19 81.34 3.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.365 179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.417 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -72.4 136.96 81.02 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.959 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.417 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.99 134.85 18.34 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.554 1.818 . . . . 0.0 110.958 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.495 HG21 ' HB3' ' A' ' 62' ' ' SER . 0.6 OUTLIER -51.42 -37.03 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.27 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.8 -29.68 62.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.995 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.409 ' C ' ' HE3' ' A' ' 42' ' ' LYS . 2.0 mpt_? -88.02 -19.76 26.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.398 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.684 HG22 ' HE1' ' A' ' 63' ' ' MET . 10.7 mt -94.29 150.19 4.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.401 ' C ' ' HE1' ' A' ' 63' ' ' MET . 0.5 OUTLIER -107.25 -77.14 0.6 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 -179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.535 HG22 ' HB ' ' A' ' 40' ' ' ILE . 6.2 t -117.87 172.55 7.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 0.0 110.358 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.557 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 9.9 p90 -143.99 155.41 44.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 110.965 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.95 128.6 36.8 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.437 1.086 . . . . 0.0 110.472 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 72.8 mt -114.86 135.68 53.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 109.319 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 74.5 p -108.99 165.99 11.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.443 1.089 . . . . 0.0 110.387 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -118.85 -20.28 8.26 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 1.161 . . . . 0.0 110.28 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.416 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -67.14 -171.3 4.89 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.385 1.053 . . . . 0.0 110.954 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -43.48 -26.95 0.24 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 110.08 179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.416 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.9 OUTLIER -64.07 -59.71 4.12 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.347 179.923 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.31 55.12 1.36 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 110.3 179.979 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -133.96 156.53 47.99 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.555 1.16 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.498 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.3 m -96.54 118.0 42.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.769 HD12 HG21 ' A' ' 10' ' ' THR . 21.3 mm -97.0 130.04 46.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -109.58 119.3 38.98 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.097 . . . . 0.0 110.997 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.535 ' HB ' HG22 ' A' ' 26' ' ' THR . 5.3 mt -103.76 127.23 58.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.548 1.155 . . . . 0.0 109.292 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.607 HG22 ' HA ' ' A' ' 24' ' ' ILE . 2.9 p -97.37 164.99 12.23 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.477 1.111 . . . . 0.0 110.435 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' HE3' ' C ' ' A' ' 23' ' ' ARG . 0.0 OUTLIER -60.35 -30.23 69.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 109.241 -179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -67.46 -20.72 65.52 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.522 1.139 . . . . 0.0 110.282 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.39 0.23 55.7 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.55 1.156 . . . . 0.0 110.969 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -79.87 112.24 16.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 0.773 . . . . 0.0 109.321 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.539 ' HE2' HG21 ' A' ' 38' ' ' ILE . 9.5 ptmt -102.81 137.25 41.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.48 1.113 . . . . 0.0 109.315 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.437 ' HA ' ' CB ' ' A' ' 11' ' ' CYS . 0.4 OUTLIER -131.46 176.5 8.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.463 1.102 . . . . 0.0 109.277 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.623 ' HA ' HD13 ' A' ' 38' ' ' ILE . 2.7 m -119.22 154.49 33.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.463 1.102 . . . . 0.0 108.334 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.487 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.24 154.51 34.8 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.504 ' OD1' HD13 ' A' ' 14' ' ' LEU . 3.6 m-20 -84.8 128.92 58.78 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.446 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -74.98 1.05 8.15 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.512 1.796 . . . . 0.0 110.979 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 4.0 tm0? -81.81 -11.65 58.87 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 110.292 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.529 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -85.68 135.84 33.61 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.534 1.146 . . . . 0.0 109.281 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -69.36 -40.39 77.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.486 1.116 . . . . 0.0 110.383 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.564 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 10.5 p-90 -62.39 -34.22 76.28 Favored 'General case' 0 C--N 1.325 -0.495 0 N-CA-C 107.977 -1.12 . . . . 0.0 107.977 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.853 ' O ' HG23 ' A' ' 60' ' ' VAL . 38.5 t -67.18 -48.21 79.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.89 -35.03 79.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 110.31 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.8 -44.42 70.08 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.463 1.102 . . . . 0.0 109.342 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . . . . . . . . . 6.5 t -66.69 -38.0 80.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.313 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.853 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.7 t -59.5 -39.98 80.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 0.0 109.378 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.77 -42.66 97.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.325 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.495 ' HB3' HG21 ' A' ' 21' ' ' VAL . 2.6 t -73.19 -44.62 59.53 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.454 1.096 . . . . 0.0 109.989 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.684 ' HE1' HG22 ' A' ' 24' ' ' ILE . 69.3 mmm -40.56 -41.72 1.52 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 110.997 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -58.11 -46.13 86.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.455 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.29 -27.99 63.81 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 110.264 -179.968 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -71.22 -35.94 71.68 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.519 1.137 . . . . 0.0 109.267 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.5 t -103.54 36.28 2.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.424 1.077 . . . . 0.0 109.968 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.74 -63.45 1.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.57 1.169 . . . . 0.0 109.31 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.519 HG23 ' O ' ' A' ' 69' ' ' THR . 12.1 t -107.55 50.37 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.452 1.095 . . . . 0.0 110.378 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 13.4 ttp180 -39.27 -43.05 1.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.554 1.159 . . . . 0.0 110.338 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -47.56 -61.55 1.87 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.518 1.136 . . . . 0.0 109.299 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -98.82 64.3 1.45 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.449 1.093 . . . . 0.0 109.336 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -88.91 15.14 8.95 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.151 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.71 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -112.59 -36.1 2.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.293 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.56 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 0.8 OUTLIER 36.51 46.1 0.42 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.437 1.086 . . . . 0.0 110.277 -179.946 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.42 HG22 ' N ' ' A' ' 77' ' ' LYS . 17.7 m -42.97 165.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.606 1.191 . . . . 0.0 110.408 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.42 ' N ' HG22 ' A' ' 76' ' ' THR . 0.0 OUTLIER -140.56 128.62 12.62 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.341 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.98 162.91 36.39 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.487 1.783 . . . . 0.0 110.984 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 13.7 t -106.37 -161.55 0.8 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 110.482 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -116.37 -113.68 2.79 Favored Glycine 0 CA--C 1.529 0.936 0 O-C-N 124.462 1.102 . . . . 0.0 111.07 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.9 m -151.48 168.32 25.25 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 0.769 . . . . 0.0 110.386 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -134.8 165.85 24.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.485 1.116 . . . . 0.0 110.335 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -147.47 162.71 38.49 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 110.337 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -144.84 165.85 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.939 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.407 HG22 ' N ' ' A' ' 86' ' ' ASN . 98.2 m -137.96 167.98 20.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 0.0 110.436 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.407 ' N ' HG22 ' A' ' 85' ' ' THR . 2.0 m-80 -149.56 159.82 43.99 Favored 'General case' 0 C--N 1.326 -0.414 0 O-C-N 124.492 1.12 . . . . 0.0 109.276 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 59.2 p -131.49 -178.86 5.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.559 1.162 . . . . 0.0 110.356 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.79 115.17 0.1 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.521 1.138 . . . . 0.0 109.291 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 8.7 p -160.42 123.32 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.133 . . . . 0.0 109.282 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.539 HG22 HD23 ' A' ' 91' ' ' LEU . 35.1 m -115.25 152.04 33.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 0.0 110.422 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.539 HD23 HG22 ' A' ' 90' ' ' THR . 0.5 OUTLIER -42.56 162.68 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 -179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.401 ' H ' HG23 ' A' ' 92' ' ' THR . 28.1 p -65.7 178.35 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.543 1.152 . . . . 0.0 110.447 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.59 1.181 . . . . 0.0 110.951 179.971 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 2.0 p . . . . . 0 N--CA 1.452 -0.351 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.86 140.27 11.6 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.47 ' O ' ' C ' ' A' ' 4' ' ' GLU . 0.1 OUTLIER -158.1 -65.0 0.09 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 0.765 . . . . 0.0 109.999 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 3' ' ' SER . 5.1 pt-20 -32.55 105.09 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.358 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.494 ' O ' ' CB ' ' A' ' 6' ' ' SER . 2.5 p -145.4 158.71 13.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.53 1.144 . . . . 0.0 109.291 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.494 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.92 -14.22 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.994 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -103.08 -31.07 10.36 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' CE ' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -64.08 166.59 7.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.454 1.096 . . . . 0.0 109.296 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -128.0 -64.51 0.96 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 110.309 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.928 HG22 HD11 ' A' ' 38' ' ' ILE . 0.5 OUTLIER -105.22 -76.27 0.61 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.561 1.163 . . . . 0.0 110.42 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 4.8 p -179.26 -171.89 0.22 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 108.298 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.704 HG22 ' N ' ' A' ' 13' ' ' SER . 0.6 OUTLIER -81.78 -90.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 109.273 -179.938 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.704 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.1 OUTLIER -105.62 -162.37 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.41 1.069 . . . . 0.0 110.056 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.484 HD23 ' HB2' ' A' ' 48' ' ' CYS . 62.6 mt -105.58 149.92 25.85 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.674 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER 36.88 -138.74 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.43 1.081 . . . . 0.0 110.415 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.72 -7.85 1.08 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.451 1.094 . . . . 0.0 110.437 -179.945 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.624 HE21 HD22 ' A' ' 19' ' ' LEU . 5.0 pt20 -142.61 82.46 1.78 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.26 59.6 0.12 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.836 HD11 HG12 ' A' ' 24' ' ' ILE . 1.3 pt? -63.29 151.97 85.9 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.13 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 136.38 20.19 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.92 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.76 -36.15 18.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.267 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -24.72 64.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.986 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -88.44 -18.81 27.51 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.92 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.6 mt -87.33 148.99 4.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.621 1.201 . . . . 0.0 109.321 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -104.39 -75.55 0.62 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.532 1.145 . . . . 0.0 109.313 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.1 t -122.04 166.51 14.39 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.424 1.078 . . . . 0.0 110.39 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.424 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 16.0 p90 -139.74 156.45 46.77 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 111.0 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.16 125.75 25.31 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 1.126 . . . . 0.0 110.401 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.5 mt -111.85 137.37 44.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 0.0 109.295 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 68.3 p -111.19 163.56 13.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.516 1.135 . . . . 0.0 110.427 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.27 -20.12 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.213 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.407 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -66.69 -172.2 4.89 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 111.013 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 77.6 p -42.06 -27.77 0.15 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 0.78 . . . . 0.0 109.997 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.54 HD22 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -64.68 -57.04 10.1 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.98 52.87 1.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.302 -179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.54 ' HB3' HD22 ' A' ' 34' ' ' LEU . . . -133.9 156.57 47.86 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.875 HG22 ' O ' ' A' ' 49' ' ' ALA . 33.3 m -96.13 133.19 38.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.928 HD11 HG22 ' A' ' 10' ' ' THR . 11.9 mm -107.84 132.11 56.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 0.0 109.342 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.46 ' HB2' HG12 ' A' ' 47' ' ' VAL . 25.8 m-85 -115.45 117.72 31.18 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.023 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 7.7 mt -106.13 128.36 60.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.461 1.101 . . . . 0.0 109.318 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.599 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -94.0 165.29 12.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.37 -179.942 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -60.43 -31.11 70.09 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.58 1.175 . . . . 0.0 109.244 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -63.15 -23.49 67.46 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 105.72 -0.83 39.21 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.499 1.124 . . . . 0.0 111.048 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.941 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.54 126.07 30.77 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.432 0.725 . . . . 0.0 109.332 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.941 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.5 ptmt -111.96 137.52 49.84 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.335 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.486 HG13 ' N ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -129.76 172.8 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.529 1.143 . . . . 0.0 109.332 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.486 ' N ' HG13 ' A' ' 47' ' ' VAL . 3.8 m -120.62 138.63 53.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 108.306 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.875 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -136.29 152.61 50.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.44 1.088 . . . . 0.0 109.348 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.32 132.76 51.91 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.135 . . . . 0.0 109.312 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.11 1.77 7.42 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.439 1.757 . . . . 0.0 110.985 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.71 -12.84 58.46 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.568 1.168 . . . . 0.0 110.329 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.416 ' HB1' ' CD1' ' A' ' 55' ' ' TRP . . . -87.33 134.2 33.6 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.533 1.146 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 3.4 m -70.03 -40.94 74.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 0.0 110.383 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.503 ' CE2' HG23 ' A' ' 56' ' ' VAL . 22.2 p-90 -59.76 -42.67 93.76 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.476 1.11 . . . . 0.0 108.1 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.648 ' CG1' HG21 ' A' ' 37' ' ' VAL . 23.4 t -57.78 -48.74 82.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 0.0 109.249 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 3.9 mtp85 -67.66 -33.04 74.15 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 0.0 110.356 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -65.14 -46.59 80.3 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.586 1.179 . . . . 0.0 109.292 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.599 ' HB ' HG23 ' A' ' 21' ' ' VAL . 33.9 m -69.5 -36.87 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 56' ' ' VAL . 3.2 t -59.11 -40.31 80.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.45 1.094 . . . . 0.0 109.279 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.85 -46.1 91.89 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 110.309 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.417 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.3 OUTLIER -73.16 -37.5 66.55 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.981 -179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.621 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -44.63 -46.99 10.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 0.0 110.991 -179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.435 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 5.1 t0 -69.79 -31.83 69.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 109.295 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.417 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.1 OUTLIER -70.37 -48.73 54.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 110.279 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.409 ' HZ2' ' HB2' ' A' ' 67' ' ' SER . 0.3 OUTLIER -71.65 -25.33 62.08 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.273 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.409 ' HB2' ' HZ2' ' A' ' 66' ' ' LYS . 46.9 t -124.1 46.72 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.438 1.086 . . . . 0.0 110.029 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.435 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.3 m-20 -73.18 -59.14 2.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.669 ' O ' HG22 ' A' ' 69' ' ' THR . 1.6 m -144.11 64.13 1.32 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.573 1.17 . . . . 0.0 110.444 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 4.6 tpt180 -40.83 -39.83 1.21 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 22.5 m-20 -40.99 -53.97 2.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 109.334 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.532 ' H ' HG22 ' A' ' 69' ' ' THR . 3.3 m-20 -54.14 -55.28 29.21 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.495 1.122 . . . . 0.0 109.345 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.409 ' HE1' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 70.91 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.962 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.409 HG23 ' HE1' ' A' ' 73' ' ' MET . 2.8 pp -150.57 175.5 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.114 . . . . 0.0 109.303 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -148.96 62.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 1.129 . . . . 0.0 110.258 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 33.2 p -135.47 179.27 6.43 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.478 1.111 . . . . 0.0 110.343 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.45 150.85 37.3 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 167.68 26.51 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.419 1.747 . . . . 0.0 110.972 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -150.2 161.72 41.86 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 110.368 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -97.59 -113.03 3.1 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.504 1.127 . . . . 0.0 110.994 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.583 HG22 ' H ' ' A' ' 82' ' ' GLN . 29.7 m -155.34 176.55 12.43 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.445 0.732 . . . . 0.0 110.434 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.583 ' H ' HG22 ' A' ' 81' ' ' THR . 1.1 pt20 -55.54 175.24 0.08 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 0.0 110.319 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -128.2 151.88 48.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.305 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 62.5 p -179.73 164.21 1.21 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.022 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.503 HG22 ' N ' ' A' ' 86' ' ' ASN . 32.6 m -122.62 171.06 9.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.464 1.102 . . . . 0.0 110.45 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.503 ' N ' HG22 ' A' ' 85' ' ' THR . 5.1 p30 -88.71 168.72 12.27 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.278 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 76.0 p -100.38 175.34 5.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.544 1.153 . . . . 0.0 110.399 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.28 99.97 0.06 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.344 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 p -146.95 123.7 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.316 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.0 m -119.37 150.94 39.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.368 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.752 HD12 ' H ' ' A' ' 92' ' ' THR . 0.9 OUTLIER -107.07 158.27 17.19 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 109.342 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.752 ' H ' HD12 ' A' ' 91' ' ' LEU . 8.9 t 47.41 -173.61 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.389 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.436 ' N ' ' OG1' ' A' ' 92' ' ' THR . . . . . . . . 0 CA--C 1.53 0.994 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.2 p . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 149.66 154.05 6.27 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.046 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -172.73 178.68 2.58 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.611 0.83 . . . . 0.0 110.039 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -84.3 150.59 25.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.446 1.091 . . . . 0.0 110.336 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.496 ' O ' ' CB ' ' A' ' 6' ' ' SER . 69.4 t -146.49 144.73 20.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.43 1.081 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.51 -13.4 0.7 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 110.039 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' O ' ' C ' ' A' ' 8' ' ' LYS . 64.4 m-20 -120.26 -42.9 2.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.263 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 7' ' ' ASP . 0.0 OUTLIER 39.28 -154.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.536 1.147 . . . . 0.0 109.36 -179.941 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.73 -54.84 41.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.459 1.099 . . . . 0.0 110.29 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.612 HG22 HD11 ' A' ' 38' ' ' ILE . 8.6 m -111.32 -76.11 0.61 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.578 1.174 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.485 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.8 OUTLIER 179.53 -161.86 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 108.324 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 63.5 t -100.67 -83.0 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.461 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 24.6 p -109.31 -164.5 0.94 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.945 ' O ' HD12 ' A' ' 14' ' ' LEU . 4.4 pp -114.44 106.98 14.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.516 1.135 . . . . 0.0 109.221 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.515 ' O ' ' CB ' ' A' ' 16' ' ' THR . 1.6 m 83.74 -136.39 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.515 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 83.52 -8.86 1.06 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.429 1.081 . . . . 0.0 110.452 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.514 ' O ' HD23 ' A' ' 19' ' ' LEU . 3.9 pt20 -152.56 100.57 2.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.455 1.097 . . . . 0.0 110.37 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.564 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 1.1 ttm180 -81.87 117.06 21.83 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 110.322 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.552 HD23 ' N ' ' A' ' 19' ' ' LEU . 0.4 OUTLIER -115.84 160.06 36.6 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 136.38 20.42 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.475 1.776 . . . . 0.0 111.038 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.842 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.35 -35.53 16.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.93 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -58.39 -35.7 72.42 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.51 1.131 . . . . 0.0 110.04 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -21.82 57.56 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.438 1.086 . . . . 0.0 110.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.842 HD12 ' HA ' ' A' ' 21' ' ' VAL . 4.5 mt -87.93 149.17 4.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.36 -71.39 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.582 1.176 . . . . 0.0 109.273 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.2 t -131.51 168.76 17.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.551 1.157 . . . . 0.0 110.396 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.731 ' CE2' HG13 ' A' ' 60' ' ' VAL . 9.0 p90 -144.06 156.14 44.25 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.099 . . . . 0.0 110.96 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.82 121.72 23.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.537 1.148 . . . . 0.0 110.375 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.504 HG12 HG12 ' A' ' 37' ' ' VAL . 57.2 mt -100.84 137.24 29.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 0.0 109.293 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.7 p -107.07 160.48 15.52 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.488 1.117 . . . . 0.0 110.394 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.35 -20.31 7.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.353 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.448 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.81 -173.03 8.13 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.531 1.145 . . . . 0.0 110.939 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -39.46 -29.51 0.05 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 0.747 . . . . 0.0 109.942 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.448 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.2 mt -63.96 -55.4 22.8 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.435 1.084 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 32' ' ' GLY . 9.3 ttt-85 37.71 53.35 1.46 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.288 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.06 156.28 48.96 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.507 1.13 . . . . 0.0 109.288 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.505 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 2.1 m -96.54 127.07 49.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.443 1.089 . . . . 0.0 109.351 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.612 HD11 HG22 ' A' ' 10' ' ' THR . 5.2 mm -98.77 130.38 47.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.538 1.149 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.443 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 6.1 m-85 -110.68 116.73 31.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 111.005 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.6 mt -104.15 130.57 54.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.541 1.151 . . . . 0.0 109.308 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 3.0 p -99.04 167.17 10.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.495 1.122 . . . . 0.0 110.356 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.45 -34.64 74.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 0.0 109.348 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -62.23 -23.47 66.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.56 0.0 42.99 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.548 1.155 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.416 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.45 116.39 20.48 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 0.752 . . . . 0.0 109.25 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 2.3 ptpt -104.84 136.68 43.88 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.555 1.159 . . . . 0.0 109.29 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.418 HG21 ' NE2' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -132.54 168.66 23.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.299 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.446 ' SG ' ' CD1' ' A' ' 38' ' ' ILE . 7.9 m -108.32 156.94 18.83 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.139 . . . . 0.0 108.263 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.505 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -153.63 155.57 36.31 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.54 1.15 . . . . 0.0 109.298 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.506 ' HB2' HD13 ' A' ' 14' ' ' LEU . 0.5 OUTLIER -85.07 130.73 51.03 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.532 1.145 . . . . 0.0 109.288 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 1.28 7.88 Favored 'Trans proline' 0 C--N 1.361 1.214 0 O-C-N 124.499 1.789 . . . . 0.0 111.074 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 tm0? -82.81 -16.32 48.25 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.589 1.18 . . . . 0.0 110.258 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.475 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -79.37 132.09 36.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.343 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.87 -42.59 73.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.543 1.152 . . . . 0.0 110.443 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.686 ' CE2' HG23 ' A' ' 56' ' ' VAL . 30.9 p-90 -59.71 -43.99 93.88 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 0.0 107.965 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.808 ' O ' HG23 ' A' ' 60' ' ' VAL . 16.3 t -58.03 -48.73 83.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -68.23 -33.52 74.56 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.449 1.093 . . . . 0.0 110.309 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 3.7 t0 -64.18 -46.47 83.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 109.292 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.61 HG22 ' O ' ' A' ' 56' ' ' VAL . 20.4 m -69.48 -36.4 71.25 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.556 1.16 . . . . 0.0 109.289 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 56' ' ' VAL . 34.7 t -59.24 -40.59 81.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.132 . . . . 0.0 109.326 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.64 -45.56 89.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.315 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.442 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.0 OUTLIER -73.39 -39.81 64.82 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.547 1.155 . . . . 0.0 109.985 -179.958 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.638 ' HE3' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -43.34 -42.42 4.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.508 1.13 . . . . 0.0 110.979 -179.961 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.469 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 1.2 t0 -58.37 -40.88 83.47 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 62' ' ' SER . 7.9 ttt180 -71.29 -43.82 66.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.277 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.26 -35.95 82.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.9 t -123.52 46.87 2.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.405 1.066 . . . . 0.0 110.049 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.469 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.2 t-20 -73.51 -61.32 1.87 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.45 1.094 . . . . 0.0 109.264 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 35.5 m -96.1 19.41 11.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 0.0 110.39 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 71' ' ' ASN . 0.7 OUTLIER -124.07 -0.53 8.37 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 110.31 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.442 ' O ' ' O ' ' A' ' 70' ' ' ARG . 8.0 t-20 -58.99 -149.02 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.472 ' O ' ' N ' ' A' ' 74' ' ' ILE . 29.5 m120 -70.75 56.9 0.19 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.132 . . . . 0.0 109.341 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.526 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 1.0 OUTLIER 63.39 -72.7 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.567 1.167 . . . . 0.0 111.034 -179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.472 ' N ' ' O ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER -134.7 138.47 49.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 9.0 pt20 -97.1 58.64 1.57 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.433 1.083 . . . . 0.0 110.317 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 73.6 p 40.2 -161.31 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 110.377 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.81 118.46 4.4 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.58 1.175 . . . . 0.0 109.32 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 146.73 32.95 Favored 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.478 1.778 . . . . 0.0 111.047 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.45 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 10.2 t -74.4 -165.03 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.429 1.081 . . . . 0.0 110.418 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.45 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . -138.52 -115.74 1.35 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.542 1.151 . . . . 0.0 110.984 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.599 HG22 ' H ' ' A' ' 82' ' ' GLN . 28.4 m -140.56 177.1 8.25 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.461 0.741 . . . . 0.0 110.439 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.599 ' H ' HG22 ' A' ' 81' ' ' THR . 2.1 tt0 -134.69 137.31 43.45 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.454 1.096 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -115.1 162.95 16.33 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.091 . . . . 0.0 110.265 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -154.78 170.52 21.43 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.489 1.118 . . . . 0.0 109.973 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.451 ' OG1' ' N ' ' A' ' 86' ' ' ASN . 2.2 t -139.76 177.36 8.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 0.0 110.463 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.451 ' N ' ' OG1' ' A' ' 85' ' ' THR . 3.1 t-20 -160.72 163.39 32.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 109.27 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 79.6 p -146.26 177.03 9.32 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 110.466 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.16 108.98 0.23 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 109.261 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.426 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.4 p -161.02 119.06 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.607 HG22 HD23 ' A' ' 91' ' ' LEU . 25.7 m -103.56 152.65 21.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.554 1.158 . . . . 0.0 110.375 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.607 HD23 HG22 ' A' ' 90' ' ' THR . 0.7 OUTLIER -42.56 162.13 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.379 179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 37.4 p -105.04 171.09 7.5 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 110.416 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . 0.406 HG23 ' N ' ' A' ' 2' ' ' GLY . 19.5 m . . . . . 0 N--CA 1.452 -0.343 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.406 ' N ' HG23 ' A' ' 1' ' ' VAL . . . -116.67 -150.06 9.27 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.536 1.148 . . . . 0.0 110.987 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -69.12 -85.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.524 0.779 . . . . 0.0 110.01 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -89.48 128.27 35.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.134 . . . . 0.0 110.332 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 22.7 t -142.1 63.64 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.543 1.152 . . . . 0.0 109.324 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -80.05 -22.7 42.04 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.579 1.175 . . . . 0.0 110.021 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.725 ' OD2' HG21 ' A' ' 28' ' ' THR . 6.6 m-20 -80.45 -31.17 37.52 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.539 1.149 . . . . 0.0 109.346 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 68.01 -77.97 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 ttt180 -132.01 -70.18 0.58 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.42 1.075 . . . . 0.0 110.283 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.618 HG22 ' SG ' ' A' ' 48' ' ' CYS . 26.6 m -159.78 -101.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 110.422 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.46 ' SG ' ' N ' ' A' ' 48' ' ' CYS . 18.1 p -179.53 -146.87 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.553 1.158 . . . . 0.0 108.278 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 69.5 t -88.55 -84.0 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.466 1.104 . . . . 0.0 109.257 -179.909 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 72.7 p -118.31 -163.55 0.96 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.432 ' O ' ' CB ' ' A' ' 15' ' ' THR . 12.6 mt -114.63 95.04 5.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.605 1.19 . . . . 0.0 109.297 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.494 ' O ' ' CB ' ' A' ' 16' ' ' THR . 2.3 m 77.94 -136.31 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.528 1.143 . . . . 0.0 110.381 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.494 ' CB ' ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 82.22 -5.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.086 . . . . 0.0 110.417 -179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.4 pt20 -142.1 87.93 2.07 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.574 1.171 . . . . 0.0 110.306 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.59 ' NE ' ' CE3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -69.26 60.75 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.394 1.059 . . . . 0.0 110.296 179.988 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.668 HD11 HG12 ' A' ' 24' ' ' ILE . 2.2 pt? -57.8 155.47 22.43 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 0.0 109.334 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 144.16 30.05 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.534 1.807 . . . . 0.0 111.068 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.706 HG22 HG13 ' A' ' 59' ' ' VAL . 59.6 t -59.4 -29.98 43.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 0.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -60.7 -39.25 87.86 Favored 'General case' 0 C--N 1.323 -0.545 0 O-C-N 124.6 1.188 . . . . 0.0 110.031 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -85.0 0.68 50.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.309 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.668 HG12 HD11 ' A' ' 19' ' ' LEU . 96.5 mt -100.52 144.13 13.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.44 1.088 . . . . 0.0 109.307 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' HG3' ' N ' ' A' ' 26' ' ' THR . 12.6 tppt? -96.85 -87.19 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.34 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.471 ' N ' ' HG3' ' A' ' 25' ' ' LYS . 14.8 t -127.55 -176.79 3.86 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.52 1.137 . . . . 0.0 110.374 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.702 ' CE2' HG13 ' A' ' 60' ' ' VAL . 9.0 p90 -144.12 160.69 40.47 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 0.0 111.067 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.725 HG21 ' OD2' ' A' ' 7' ' ' ASP . 0.8 OUTLIER -142.31 126.19 17.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.96 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.672 HG12 HG12 ' A' ' 37' ' ' VAL . 27.5 mt -109.44 137.31 42.17 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 O-C-N 124.57 1.169 . . . . 0.0 109.341 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.4 p -109.01 164.47 12.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.562 1.164 . . . . 0.0 110.386 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.03 -19.04 9.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 0.0 110.293 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -69.18 -173.29 9.17 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.478 1.111 . . . . 0.0 110.97 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.402 ' C ' ' O ' ' A' ' 32' ' ' GLY . 93.6 p -39.49 -29.48 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.422 0.719 . . . . 0.0 109.963 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.439 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.1 mt -62.76 -56.43 17.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.514 1.134 . . . . 0.0 109.283 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 36.11 46.38 0.37 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.364 1.04 . . . . 0.0 110.277 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -130.78 158.04 41.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 0.0 109.263 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.704 HG22 ' O ' ' A' ' 49' ' ' ALA . 34.2 m -94.87 132.6 38.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.339 179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.648 HG23 ' O ' ' A' ' 47' ' ' VAL . 15.7 mm -107.27 124.84 63.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' O ' HG12 ' A' ' 47' ' ' VAL . 1.4 m-85 -106.58 117.43 34.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 111.0 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.485 ' CG2' ' HE2' ' A' ' 46' ' ' LYS . 2.0 mt -95.8 142.34 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 0.0 109.273 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.538 HG22 ' CD1' ' A' ' 19' ' ' LEU . 12.8 p -99.49 170.79 8.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.539 1.149 . . . . 0.0 110.404 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 4.7 mmtt -63.89 -39.66 94.71 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.558 1.161 . . . . 0.0 109.335 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -58.74 -22.67 58.31 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.127 . . . . 0.0 110.318 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.5 8.26 40.93 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.72 126.38 31.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 0.771 . . . . 0.0 109.344 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.485 ' HE2' ' CG2' ' A' ' 40' ' ' ILE . 0.0 OUTLIER -92.44 127.62 37.99 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.651 HG12 ' O ' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -120.8 170.69 10.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.11 . . . . 0.0 109.378 179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.618 ' SG ' HG22 ' A' ' 10' ' ' THR . 5.1 m -121.7 150.63 41.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 108.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.704 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.39 146.5 24.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.118 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -82.63 137.25 44.58 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 2.81 6.23 Favored 'Trans proline' 0 C--N 1.361 1.222 0 O-C-N 124.557 1.819 . . . . 0.0 110.991 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.21 -13.23 58.78 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.318 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 129.45 34.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.328 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.427 ' OG1' ' NH2' ' A' ' 57' ' ' ARG . 2.3 m -70.23 -39.7 74.91 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.563 1.164 . . . . 0.0 110.363 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.654 ' NE1' HG23 ' A' ' 56' ' ' VAL . 7.6 p-90 -59.77 -42.91 94.35 Favored 'General case' 0 C--N 1.325 -0.491 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 60' ' ' VAL . 19.7 t -63.7 -47.73 89.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.481 1.113 . . . . 0.0 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' NH2' ' OG1' ' A' ' 54' ' ' THR . 37.3 mtm180 -63.44 -34.56 78.03 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 0.0 110.312 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -69.69 -44.11 71.09 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 109.262 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.706 HG13 HG22 ' A' ' 21' ' ' VAL . 35.7 t -65.49 -36.98 78.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 56' ' ' VAL . 53.7 t -58.75 -40.62 80.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 109.195 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.13 -47.46 85.2 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 110.343 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.456 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.6 OUTLIER -73.79 -39.54 64.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 110.004 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.603 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.0 OUTLIER -40.5 -41.22 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 111.035 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.448 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 4.5 t70 -57.88 -46.33 85.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 mtt-85 -71.4 -44.9 64.06 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.58 1.175 . . . . 0.0 110.25 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.9 -36.29 74.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.53 39.32 3.88 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.489 1.118 . . . . 0.0 110.035 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.448 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 1.2 m-20 -69.55 -48.61 59.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.523 1.139 . . . . 0.0 109.276 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.636 ' O ' HG22 ' A' ' 69' ' ' THR . 1.3 m -140.6 73.85 1.44 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 0.0 110.429 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 10.6 ttt180 -167.03 -41.83 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 110.331 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -40.11 -60.23 1.09 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.523 1.139 . . . . 0.0 109.325 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -53.43 -50.26 65.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 109.347 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 68.9 -70.46 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.107 . . . . 0.0 111.035 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pp -137.35 -179.73 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.11 . . . . 0.0 109.312 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -135.12 79.09 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.557 1.161 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 14.8 t -100.5 157.4 16.68 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 0.0 110.397 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -138.92 113.9 8.43 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.414 1.071 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 146.58 32.59 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.483 1.78 . . . . 0.0 110.98 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.497 HG22 ' H ' ' A' ' 80' ' ' GLY . 92.2 m -114.57 174.04 6.16 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.424 1.078 . . . . 0.0 110.368 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.497 ' H ' HG22 ' A' ' 79' ' ' THR . . . -165.35 72.62 0.18 Allowed Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.471 1.107 . . . . 0.0 111.017 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 m -97.04 164.88 12.33 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 0.766 . . . . 0.0 110.408 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -136.94 175.52 9.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.44 1.088 . . . . 0.0 110.316 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -136.98 162.09 34.24 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.547 1.154 . . . . 0.0 110.354 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -146.62 155.94 42.84 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 110.033 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 29.3 m -127.23 167.53 15.96 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.554 1.158 . . . . 0.0 110.376 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -142.26 160.87 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.442 1.088 . . . . 0.0 109.342 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 58.1 p -131.49 -179.92 5.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.145 . . . . 0.0 110.403 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.08 85.91 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.515 1.134 . . . . 0.0 109.324 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 11.7 p -124.94 127.0 72.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 0.0 109.258 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 54.1 m -127.99 151.8 48.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.421 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.63 HD12 ' H ' ' A' ' 93' ' ' GLY . 1.5 tp -109.8 120.47 42.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.428 1.08 . . . . 0.0 109.364 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 8.3 t -126.55 1.66 6.88 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.565 1.166 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . 0.63 ' H ' HD12 ' A' ' 91' ' ' LEU . . . . . . . . 0 CA--C 1.53 0.997 0 O-C-N 124.521 1.138 . . . . 0.0 110.949 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 66.5 t . . . . . 0 N--CA 1.452 -0.353 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . 0.42 ' O ' ' CB ' ' A' ' 3' ' ' SER . . . 152.71 143.8 3.77 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.515 1.135 . . . . 0.0 111.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.42 ' CB ' ' O ' ' A' ' 2' ' ' GLY . 0.5 OUTLIER 164.17 -28.04 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.431 0.724 . . . . 0.0 110.014 179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.404 ' O ' ' O ' ' A' ' 3' ' ' SER . 0.0 OUTLIER 53.5 171.21 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.544 1.153 . . . . 0.0 110.254 179.899 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.926 HG13 ' HB3' ' A' ' 8' ' ' LYS . 25.5 t -140.76 78.41 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 109.293 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -104.44 -14.74 15.61 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.453 1.095 . . . . 0.0 110.004 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -131.85 -45.65 0.95 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.488 1.118 . . . . 0.0 109.318 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.926 ' HB3' HG13 ' A' ' 5' ' ' VAL . 7.9 pttp 44.94 -166.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.7 tpt180 -128.16 -67.31 0.81 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 110.318 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.734 HG21 HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -159.72 -44.16 0.05 Allowed 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.502 1.126 . . . . 0.0 110.474 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 15.2 p -128.18 -150.63 0.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.424 1.078 . . . . 0.0 108.31 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 78.2 t -101.76 -77.4 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.254 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.1 m -118.22 -162.54 0.89 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.526 1.141 . . . . 0.0 109.953 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 14' ' ' LEU . 14.6 mt -108.69 104.18 13.42 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.536 1.147 . . . . 0.0 109.304 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.601 ' O ' HG22 ' A' ' 16' ' ' THR . 10.1 m 70.9 -127.48 0.07 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 0.0 110.385 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.679 HG23 ' O ' ' A' ' 16' ' ' THR . 0.6 OUTLIER 75.43 22.53 1.63 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.441 1.088 . . . . 0.0 110.369 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 18.2 tt0 -175.12 110.43 0.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.455 1.097 . . . . 0.0 110.295 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.01 93.86 2.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 110.297 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 0.4 OUTLIER -86.78 135.65 35.43 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.289 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -74.95 129.39 12.34 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.45 1.763 . . . . 0.0 111.016 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.736 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.19 -31.9 11.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.93 -37.95 75.04 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 0.0 109.969 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -87.63 -6.18 58.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.12 . . . . 0.0 110.31 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.736 HD12 ' HA ' ' A' ' 21' ' ' VAL . 18.5 mt -99.0 139.29 21.13 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.491 1.119 . . . . 0.0 109.325 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.435 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -94.24 -75.7 0.5 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.48 1.112 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -130.13 176.44 8.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.415 1.072 . . . . 0.0 110.406 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.755 ' CE2' HG13 ' A' ' 60' ' ' VAL . 5.5 p90 -144.16 157.76 44.12 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.552 1.158 . . . . 0.0 110.983 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.79 120.47 22.7 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 0.0 110.435 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 93.7 mt -110.93 134.68 52.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.511 1.132 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 7.2 p -112.32 172.44 6.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.452 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -120.73 -24.73 5.64 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -59.52 -166.17 0.18 Allowed Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.526 1.141 . . . . 0.0 111.01 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -47.52 -24.08 0.77 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 0.753 . . . . 0.0 109.981 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.407 ' O ' ' C ' ' A' ' 35' ' ' ARG . 2.9 mt -68.33 -57.14 6.38 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.517 1.135 . . . . 0.0 109.197 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 34' ' ' LEU . 2.3 tpt85 37.16 35.7 0.05 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.557 1.16 . . . . 0.0 110.253 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -118.2 156.83 28.08 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 0.0 109.238 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.546 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.4 m -96.52 126.08 49.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 0.0 109.253 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.734 HD12 HG21 ' A' ' 10' ' ' THR . 10.1 mm -97.24 131.96 42.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 109.294 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CD2' HD13 ' A' ' 24' ' ' ILE . 4.7 m-85 -114.14 117.82 32.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.542 1.151 . . . . 0.0 111.007 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.45 ' O ' HG23 ' A' ' 24' ' ' ILE . 3.4 mt -101.55 135.05 39.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 8.8 p -99.18 167.26 10.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.408 ' NZ ' ' HG2' ' A' ' 25' ' ' LYS . 60.2 mmtt -57.05 -50.26 73.29 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.236 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.78 -21.3 2.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.422 1.076 . . . . 0.0 110.236 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.83 10.08 35.9 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.487 1.117 . . . . 0.0 110.975 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.829 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.2 OUTLIER -80.84 123.15 28.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 0.745 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.829 ' N ' HD12 ' A' ' 45' ' ' LEU . 9.2 ptmt -107.73 136.92 46.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.46 HG22 ' H ' ' A' ' 48' ' ' CYS . 1.0 OUTLIER -133.57 175.07 12.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.46 ' H ' HG22 ' A' ' 47' ' ' VAL . 2.4 m -116.15 152.99 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 108.331 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.546 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -153.06 154.84 35.7 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.632 1.208 . . . . 0.0 109.269 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -84.7 135.73 40.12 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.17 6.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.49 1.784 . . . . 0.0 110.999 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -13.3 57.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.1 . . . . 0.0 110.314 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.504 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -80.22 128.83 33.99 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.574 1.171 . . . . 0.0 109.325 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -70.08 -44.61 68.74 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.39 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.485 ' CE2' HG23 ' A' ' 56' ' ' VAL . 16.0 p-90 -59.86 -44.09 94.33 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 108.038 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.535 HG13 ' CE1' ' A' ' 39' ' ' PHE . 63.8 t -57.58 -48.31 83.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 1.129 . . . . 0.0 109.304 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 22.8 mtp85 -67.25 -33.1 74.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.46 -46.87 78.15 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.501 HG22 ' O ' ' A' ' 56' ' ' VAL . 34.1 m -69.88 -36.04 67.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.755 HG13 ' CE2' ' A' ' 27' ' ' TYR . 2.6 t -58.08 -40.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.518 1.136 . . . . 0.0 109.321 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.01 -47.67 84.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.477 1.111 . . . . 0.0 110.31 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -74.14 -34.53 63.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.94 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.574 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -48.26 -42.55 30.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 111.025 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.486 ' O ' ' CA ' ' A' ' 68' ' ' ASN . 1.7 t70 -70.49 -31.77 69.01 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.474 1.109 . . . . 0.0 109.266 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -69.0 -48.71 62.39 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.57 1.169 . . . . 0.0 110.275 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.41 -31.82 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 109.255 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 31.3 t -116.59 43.49 2.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.997 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.486 ' CA ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -79.42 -63.66 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.125 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.66 ' O ' HG22 ' A' ' 69' ' ' THR . 7.3 m -151.67 45.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.417 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.558 ' NE ' ' H ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -40.08 -59.07 1.31 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.412 1.07 . . . . 0.0 110.325 179.958 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.558 ' H ' ' NE ' ' A' ' 70' ' ' ARG . 4.4 t-20 67.98 -69.21 0.15 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.52 1.138 . . . . 0.0 109.283 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.439 ' N ' ' O ' ' A' ' 70' ' ' ARG . 81.6 m-20 -74.59 -66.77 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 0.0 109.354 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 70.88 170.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.425 1.078 . . . . 0.0 111.009 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . . . . . . . . . 2.8 pp -136.85 169.19 20.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.547 1.154 . . . . 0.0 109.325 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -157.49 66.7 0.5 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.55 1.156 . . . . 0.0 110.356 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 17.6 m -48.17 127.43 12.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.109 . . . . 0.0 110.406 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.19 119.67 27.53 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.291 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 170.65 19.95 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.421 1.748 . . . . 0.0 111.0 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.4 m -101.59 160.73 14.2 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.539 1.149 . . . . 0.0 110.406 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -80.29 -103.23 0.29 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.509 1.13 . . . . 0.0 110.969 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 82' ' ' GLN . 21.0 m -145.83 175.41 10.43 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.483 0.755 . . . . 0.0 110.428 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' H ' HG22 ' A' ' 81' ' ' THR . 0.1 OUTLIER -135.48 151.74 50.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.582 1.177 . . . . 0.0 110.284 -179.951 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 1.1 tp60 -149.2 162.54 39.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.507 1.13 . . . . 0.0 110.252 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 88.7 p -171.47 157.75 4.97 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.518 1.136 . . . . 0.0 110.06 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.483 HG23 ' N ' ' A' ' 86' ' ' ASN . 5.9 t -148.57 -163.27 1.74 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.572 1.17 . . . . 0.0 110.366 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.483 ' N ' HG23 ' A' ' 85' ' ' THR . 1.4 t30 178.51 167.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.513 1.133 . . . . 0.0 109.353 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 69.6 p -127.12 168.23 14.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.521 1.138 . . . . 0.0 110.414 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.95 100.41 0.13 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.402 HG13 ' O ' ' A' ' 89' ' ' VAL . 10.8 p -144.23 120.44 4.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 O-C-N 124.614 1.196 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 19.6 m -127.52 154.11 45.54 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 0.0 110.437 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.521 HD12 ' N ' ' A' ' 92' ' ' THR . 1.6 tp -104.66 131.32 52.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 109.285 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.521 ' N ' HD12 ' A' ' 91' ' ' LEU . 1.3 t -77.03 155.07 32.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.367 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 O-C-N 124.495 1.122 . . . . 0.0 110.997 179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.8 m . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -68.83 155.59 53.49 Favored Glycine 0 CA--C 1.529 0.95 0 O-C-N 124.521 1.138 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -167.15 -179.85 4.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 0.76 . . . . 0.0 109.984 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -53.55 163.22 0.68 Allowed 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.49 1.119 . . . . 0.0 110.343 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 5' ' ' VAL . 67.9 t -137.34 58.24 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 0.0 109.347 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.18 -25.19 67.97 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.975 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 9' ' ' ARG . 9.8 m-20 -78.82 -42.14 28.41 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.428 1.08 . . . . 0.0 109.333 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.419 ' CA ' HG12 ' A' ' 5' ' ' VAL . 0.0 OUTLIER 38.88 -98.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.414 1.071 . . . . 0.0 109.344 179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.45 ' N ' ' O ' ' A' ' 7' ' ' ASP . 3.4 tpt180 -54.57 -66.12 0.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.516 1.135 . . . . 0.0 110.347 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.784 HG22 ' SG ' ' A' ' 48' ' ' CYS . 84.8 m -37.64 -52.37 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 16.1 p -178.4 -148.02 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 108.283 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -121.69 -68.11 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.198 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 5.0 m -118.13 -163.04 0.92 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.98 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 14' ' ' LEU . 10.7 mt -113.45 100.22 8.36 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.262 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.576 ' O ' HG22 ' A' ' 16' ' ' THR . 6.1 m 73.16 -129.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.394 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.576 HG22 ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 74.83 2.54 4.04 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.108 . . . . 0.0 110.438 -179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 19' ' ' LEU . 6.6 pt20 -149.73 87.66 1.51 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.43 1.081 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.577 ' HG2' ' CZ2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -60.82 81.82 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.351 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 17' ' ' GLN . 0.3 OUTLIER -75.34 146.52 81.43 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.559 1.162 . . . . 0.0 109.29 -179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.475 ' HG2' ' CG ' ' A' ' 23' ' ' ARG . 18.3 Cg_endo -75.02 131.28 14.09 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.556 1.819 . . . . 0.0 111.057 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.949 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -51.6 -38.09 20.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.432 1.083 . . . . 0.0 109.296 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -57.09 -42.69 81.22 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.594 1.184 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.475 ' CG ' ' HG2' ' A' ' 20' ' ' PRO . 7.6 mmt-85 -74.99 -5.32 43.31 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 0.0 110.272 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.949 HD12 ' HA ' ' A' ' 21' ' ' VAL . 14.1 mt -102.34 147.85 8.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.484 1.115 . . . . 0.0 109.273 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.424 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -103.93 -75.88 0.61 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.442 1.089 . . . . 0.0 109.305 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.474 ' CG2' HD12 ' A' ' 40' ' ' ILE . 5.4 t -125.29 173.3 8.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 110.392 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.528 ' CE2' HG13 ' A' ' 60' ' ' VAL . 8.2 p90 -144.26 157.45 44.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 110.95 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.443 ' O ' ' N ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -134.73 119.77 18.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.544 1.152 . . . . 0.0 110.391 179.962 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.593 HG12 HG12 ' A' ' 37' ' ' VAL . 17.4 mt -102.72 137.94 28.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.434 1.084 . . . . 0.0 109.334 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.4 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 16.7 p -115.57 161.09 19.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 110.355 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.447 ' OE2' ' NE ' ' A' ' 35' ' ' ARG . 0.5 OUTLIER -119.92 -23.07 6.52 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.327 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -64.73 -169.32 1.97 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 37.2 m -41.23 -28.33 0.1 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.446 0.733 . . . . 0.0 110.032 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.427 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.8 mt -65.39 -55.9 15.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.435 1.084 . . . . 0.0 109.323 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.447 ' NE ' ' OE2' ' A' ' 31' ' ' GLU . 0.4 OUTLIER 37.06 49.95 0.87 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 110.285 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.35 157.49 46.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.152 . . . . 0.0 109.318 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.906 HG22 ' O ' ' A' ' 49' ' ' ALA . 28.4 m -95.38 132.79 38.49 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.448 1.092 . . . . 0.0 109.274 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.568 ' CD1' ' CG2' ' A' ' 10' ' ' THR . 3.3 mm -105.0 133.07 50.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.577 1.173 . . . . 0.0 109.241 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.756 ' CD2' HD13 ' A' ' 24' ' ' ILE . 4.5 m-85 -116.62 117.3 29.45 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.579 1.174 . . . . 0.0 110.979 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.518 HD13 ' HD2' ' A' ' 46' ' ' LYS . 9.5 mt -102.37 130.68 51.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.2 p -98.83 165.29 11.84 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.432 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.52 -30.24 69.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.84 -21.51 66.02 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.547 1.154 . . . . 0.0 110.291 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.02 1.59 48.59 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.499 1.125 . . . . 0.0 111.033 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -80.58 128.46 33.63 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 0.778 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.518 ' HD2' HD13 ' A' ' 40' ' ' ILE . 1.2 mtmm -112.09 137.24 50.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.29 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.455 HG13 ' N ' ' A' ' 48' ' ' CYS . 0.4 OUTLIER -131.71 171.59 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.427 1.079 . . . . 0.0 109.338 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.784 ' SG ' HG22 ' A' ' 10' ' ' THR . 2.0 m -119.13 152.49 36.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.142 . . . . 0.0 108.252 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.906 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -153.21 155.12 36.04 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -81.41 132.66 55.01 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 2.22 6.9 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.581 1.832 . . . . 0.0 111.008 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -81.51 -13.74 57.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.484 1.115 . . . . 0.0 110.339 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -82.22 127.83 33.57 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.404 ' O ' ' N ' ' A' ' 58' ' ' ASP . 2.3 m -69.75 -42.32 74.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 0.0 110.424 179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.577 ' CZ2' ' HG2' ' A' ' 18' ' ' ARG . 8.0 p-90 -59.97 -38.91 83.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.481 1.113 . . . . 0.0 108.008 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 1.002 ' O ' HG23 ' A' ' 60' ' ' VAL . 75.3 t -64.68 -48.94 82.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.572 1.17 . . . . 0.0 109.286 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' HB3' ' NH1' ' A' ' 57' ' ' ARG . 2.3 mtp-105 -67.29 -33.57 75.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 110.257 -179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . 0.441 ' O ' ' CG ' ' A' ' 61' ' ' ARG . 5.3 t70 -63.92 -46.03 86.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.59 HG22 ' O ' ' A' ' 56' ' ' VAL . 31.2 m -70.58 -34.13 56.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.47 1.106 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 1.002 HG23 ' O ' ' A' ' 56' ' ' VAL . 47.7 t -56.35 -41.73 72.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.326 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . 0.598 ' HG3' ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -59.39 -31.72 69.49 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.33 179.942 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.598 ' N ' ' HG3' ' A' ' 61' ' ' ARG . 1.3 t -75.54 -41.03 56.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.506 1.129 . . . . 0.0 110.022 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.479 ' HE1' HG22 ' A' ' 24' ' ' ILE . 81.6 mmm -39.94 -46.03 1.97 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.421 1.076 . . . . 0.0 111.063 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -58.23 -45.87 86.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.305 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.36 -34.04 70.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.444 1.09 . . . . 0.0 110.282 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 1.8 mmmt -71.53 -36.01 70.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.366 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.4 t -108.47 38.76 2.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.965 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -113.09 -63.29 1.46 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 2.0 t -48.73 -31.45 6.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.429 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.404 ' O ' ' C ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -50.18 -24.57 2.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.404 ' C ' ' O ' ' A' ' 70' ' ' ARG . 3.7 m-20 -40.27 -79.9 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.233 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.536 ' O ' ' N ' ' A' ' 74' ' ' ILE . 20.2 m120 -131.33 13.28 5.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.362 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.487 ' CG ' ' C ' ' A' ' 72' ' ' ASN . 0.1 OUTLIER 38.72 -90.6 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.578 1.174 . . . . 0.0 110.981 -179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.536 ' N ' ' O ' ' A' ' 72' ' ' ASN . 2.7 pt -143.36 170.92 9.54 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.491 1.12 . . . . 0.0 109.265 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mt-30 -134.86 80.66 1.86 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 0.0 110.345 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 41.1 p -44.21 143.36 1.22 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.487 1.117 . . . . 0.0 110.363 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -85.12 161.49 52.19 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 109.308 179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 153.64 42.2 Favored 'Trans proline' 0 C--N 1.361 1.207 0 O-C-N 124.541 1.811 . . . . 0.0 110.966 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 m -42.41 163.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 110.388 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 127.24 95.75 0.91 Allowed Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.522 1.139 . . . . 0.0 110.984 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.549 HG22 ' H ' ' A' ' 82' ' ' GLN . 7.1 m -104.8 177.04 4.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.43 0.724 . . . . 0.0 110.435 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.549 ' H ' HG22 ' A' ' 81' ' ' THR . 2.6 mt-30 -93.22 164.5 13.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.125 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -141.38 156.47 45.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.306 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.68 137.1 43.28 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.929 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 68.5 p -70.97 120.66 16.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.421 1.076 . . . . 0.0 110.41 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 2.5 p-10 -63.37 161.87 13.35 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.429 1.081 . . . . 0.0 109.309 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 80.7 p -85.66 171.59 11.53 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.131 . . . . 0.0 110.4 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -168.54 83.77 0.16 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.441 1.088 . . . . 0.0 109.31 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 13.6 p -129.42 122.25 55.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 99.1 m -139.47 152.13 46.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 110.408 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.43 HD12 ' N ' ' A' ' 92' ' ' THR . 1.3 tp -105.74 135.36 47.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.599 1.187 . . . . 0.0 109.298 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.43 ' N ' HD12 ' A' ' 91' ' ' LEU . 9.1 p -95.81 167.66 11.13 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.498 1.124 . . . . 0.0 110.395 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.441 1.088 . . . . 0.0 111.057 179.974 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 109.3 -0.63 . . . . 0.0 109.3 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 80.09 140.13 2.29 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.474 1.109 . . . . 0.0 111.0 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.472 ' O ' ' N ' ' A' ' 5' ' ' VAL . 0.5 OUTLIER 175.58 178.68 0.17 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.493 0.761 . . . . 0.0 109.973 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.551 ' O ' HG23 ' A' ' 5' ' ' VAL . 1.4 tt0 36.96 31.63 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 110.275 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.551 HG23 ' O ' ' A' ' 4' ' ' GLU . 71.4 t -157.6 150.9 8.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 0.0 109.352 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.483 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 84.17 -12.26 0.8 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.558 1.162 . . . . 0.0 110.032 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -113.88 -15.21 12.41 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.72 -169.86 0.13 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.565 1.166 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -103.13 -69.36 0.8 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 110.284 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.495 HG21 HD12 ' A' ' 38' ' ' ILE . 1.3 m -116.14 -51.72 2.62 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.451 1.094 . . . . 0.0 110.417 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 2.4 p -129.59 -157.42 0.82 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 108.272 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.81 HG22 ' N ' ' A' ' 13' ' ' SER . 0.5 OUTLIER -107.98 -95.49 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.446 1.091 . . . . 0.0 109.27 -179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.81 ' N ' HG22 ' A' ' 12' ' ' VAL . 0.4 OUTLIER -95.79 -164.01 1.11 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.519 1.137 . . . . 0.0 109.938 -179.947 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.453 HD13 ' CG ' ' A' ' 50' ' ' ASP . 8.6 mt -106.08 103.68 13.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.089 . . . . 0.0 109.354 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.613 ' O ' HG22 ' A' ' 16' ' ' THR . 1.2 m 78.41 -138.18 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.512 1.132 . . . . 0.0 110.374 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.613 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 82.75 -5.02 1.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 110.403 -179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 1.7 pt20 -140.93 75.43 1.5 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.575 1.172 . . . . 0.0 110.288 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.571 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -66.99 74.72 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.43 1.081 . . . . 0.0 110.281 -179.988 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.771 HD11 HG12 ' A' ' 24' ' ' ILE . 2.6 pt? -76.75 154.5 83.33 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.363 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 135.77 19.5 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.501 1.79 . . . . 0.0 111.048 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.873 ' HA ' HD12 ' A' ' 24' ' ' ILE . 1.5 p -51.14 -38.12 18.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.46 1.1 . . . . 0.0 109.321 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 2.3 t -57.13 -27.95 62.27 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 110.021 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.453 ' HA ' ' NZ ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -88.35 -12.24 43.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 0.0 110.305 179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.873 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.1 mt -96.33 150.33 4.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 109.323 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.509 ' O ' ' CE ' ' A' ' 63' ' ' MET . 0.7 OUTLIER -103.42 -85.57 0.45 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.609 1.193 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 6.4 t -116.78 170.94 8.22 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 110.405 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.564 ' CD1' ' HB3' ' A' ' 63' ' ' MET . 13.1 p90 -143.44 161.16 39.14 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 110.989 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.0 119.89 13.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.55 1.156 . . . . 0.0 110.377 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -104.32 137.19 34.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.556 1.16 . . . . 0.0 109.276 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 22.2 p -109.31 163.04 13.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 0.0 110.384 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.84 -20.58 8.15 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.477 1.11 . . . . 0.0 110.271 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.431 ' O ' ' N ' ' A' ' 34' ' ' LEU . . . -70.52 -172.35 11.39 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.472 1.108 . . . . 0.0 110.996 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 59.7 m -39.13 -30.08 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.536 0.786 . . . . 0.0 109.968 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.431 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -61.81 -59.12 5.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.567 1.167 . . . . 0.0 109.302 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 4.9 ttt180 37.21 55.49 1.31 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.286 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.37 156.33 48.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 109.307 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.572 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.5 m -96.53 122.41 48.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.448 1.093 . . . . 0.0 109.342 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.495 HD12 HG21 ' A' ' 10' ' ' THR . 19.1 mm -97.22 131.85 43.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.473 1.108 . . . . 0.0 109.33 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.669 ' CZ ' HG13 ' A' ' 56' ' ' VAL . 26.3 m-85 -118.35 117.58 29.47 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.6 1.188 . . . . 0.0 111.043 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 4.3 mt -103.67 127.29 57.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 0.0 109.326 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.472 ' CG2' ' CD1' ' A' ' 19' ' ' LEU . 4.6 p -95.73 165.73 12.16 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.425 1.078 . . . . 0.0 110.385 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.453 ' NZ ' ' HA ' ' A' ' 23' ' ' ARG . 1.4 mtmp? -59.1 -37.14 76.45 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 109.315 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.31 61.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.102 . . . . 0.0 110.258 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 101.04 3.41 54.67 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.589 1.181 . . . . 0.0 111.047 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.4 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.86 122.05 26.73 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.567 0.804 . . . . 0.0 109.323 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.4 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 6.6 ptmt -108.79 136.88 47.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 109.333 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.494 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -133.43 169.22 22.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.541 1.15 . . . . 0.0 109.243 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.429 ' SG ' ' O ' ' A' ' 13' ' ' SER . 20.0 p -120.44 140.86 50.76 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.455 1.097 . . . . 0.0 108.267 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.572 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -137.77 155.28 49.22 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.516 1.135 . . . . 0.0 109.319 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.453 ' CG ' HD13 ' A' ' 14' ' ' LEU . 2.9 m-20 -82.42 134.56 48.11 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.268 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 3.38 5.68 Favored 'Trans proline' 0 C--N 1.359 1.084 0 O-C-N 124.523 1.801 . . . . 0.0 111.0 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.3 -16.1 53.49 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.458 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -83.15 132.27 35.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.9 m -70.7 -39.9 73.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.545 1.153 . . . . 0.0 110.341 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.571 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 22.9 p-90 -59.39 -43.04 93.0 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.51 1.131 . . . . 0.0 108.017 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.728 ' O ' HG23 ' A' ' 60' ' ' VAL . 53.7 t -57.86 -47.66 85.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.237 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.75 -33.17 75.04 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.497 1.123 . . . . 0.0 110.267 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.64 -47.18 76.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.518 HG22 ' O ' ' A' ' 56' ' ' VAL . 22.7 m -70.6 -35.99 63.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.555 1.16 . . . . 0.0 109.302 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.728 HG23 ' O ' ' A' ' 56' ' ' VAL . 11.7 t -58.01 -40.57 77.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.286 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.86 -47.06 86.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.13 . . . . 0.0 110.286 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.453 ' O ' ' N ' ' A' ' 65' ' ' ARG . 0.7 OUTLIER -73.88 -37.59 64.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.435 1.085 . . . . 0.0 109.993 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.564 ' HB3' ' CD1' ' A' ' 27' ' ' TYR . 0.1 OUTLIER -43.0 -35.66 1.31 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.563 1.165 . . . . 0.0 111.036 179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -58.74 -42.75 89.55 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.377 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.453 ' N ' ' O ' ' A' ' 62' ' ' SER . 2.6 mtm180 -69.33 -42.27 75.57 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.534 1.146 . . . . 0.0 110.338 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -64.29 -36.22 83.4 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 109.276 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -111.33 35.37 3.62 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 0.0 110.019 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.89 -53.1 23.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.109 . . . . 0.0 109.314 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 79.9 m -111.51 57.74 0.63 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.551 1.157 . . . . 0.0 110.426 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -166.25 -41.91 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.529 1.143 . . . . 0.0 110.26 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 t30 -48.85 -61.89 1.81 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.55 1.156 . . . . 0.0 109.276 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.7 t-20 -61.25 -54.38 44.88 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER 51.7 82.19 0.07 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 1.103 . . . . 0.0 111.032 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.76 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -131.14 155.83 42.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.4 1.063 . . . . 0.0 109.305 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 -153.39 74.41 1.02 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.533 1.146 . . . . 0.0 110.285 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.586 HG23 ' O ' ' A' ' 76' ' ' THR . 6.0 t -152.26 80.18 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.12 . . . . 0.0 110.39 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.6 ptmt -41.19 158.38 0.18 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.42 1.075 . . . . 0.0 109.264 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 159.28 41.56 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.461 1.769 . . . . 0.0 110.994 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.8 m -122.18 164.69 17.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.401 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . 178.79 97.03 0.1 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.532 1.145 . . . . 0.0 110.988 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.546 HG22 ' H ' ' A' ' 82' ' ' GLN . 32.6 m -97.55 175.68 6.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.512 0.772 . . . . 0.0 110.406 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' H ' HG22 ' A' ' 81' ' ' THR . 2.0 tt0 -155.21 167.96 28.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.515 1.134 . . . . 0.0 110.305 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.9 tm0? -94.14 153.45 18.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 0.0 110.276 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 32.8 t -137.56 164.07 29.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 110.043 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.494 HG23 ' N ' ' A' ' 86' ' ' ASN . 5.7 t -69.53 -163.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 0.0 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.494 ' N ' HG23 ' A' ' 85' ' ' THR . 0.7 OUTLIER -160.87 152.11 19.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.553 1.158 . . . . 0.0 109.266 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 35.5 p -141.14 -177.69 5.23 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.567 1.167 . . . . 0.0 110.385 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -165.47 68.08 0.13 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.541 1.15 . . . . 0.0 109.242 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.543 ' O ' HG13 ' A' ' 89' ' ' VAL . 13.5 p -144.78 106.97 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.539 1.15 . . . . 0.0 109.286 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 9.6 t -78.52 156.4 29.27 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.453 1.096 . . . . 0.0 110.413 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -40.95 160.12 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.438 1.086 . . . . 0.0 109.253 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 55.8 p -64.73 172.8 2.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 110.46 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.058 0 O-C-N 124.45 1.093 . . . . 0.0 110.959 179.959 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 52.9 t . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.33 -0.618 . . . . 0.0 109.33 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 179.99 -153.9 12.72 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.524 1.14 . . . . 0.0 111.003 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -63.78 177.78 0.7 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 0.766 . . . . 0.0 109.98 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.0 pt-20 -93.17 127.09 38.59 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.447 1.092 . . . . 0.0 110.221 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.567 HG13 ' HB3' ' A' ' 8' ' ' LYS . 78.6 t -134.74 83.34 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.42 -10.66 12.6 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.462 1.101 . . . . 0.0 110.002 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 -124.3 -43.51 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 109.322 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.567 ' HB3' HG13 ' A' ' 5' ' ' VAL . 5.8 ptpp? 46.64 -162.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.558 1.162 . . . . 0.0 109.263 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.3 tpt85 -126.16 -68.83 0.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.547 1.154 . . . . 0.0 110.297 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 5.5 m -129.21 -42.38 1.36 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.569 1.168 . . . . 0.0 110.402 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 11.3 p -136.22 -167.29 2.02 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.429 1.081 . . . . 0.0 108.257 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -100.61 -76.3 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.426 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.3 OUTLIER -112.63 -164.17 0.9 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.424 1.077 . . . . 0.0 109.956 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 6.9 mt -109.07 104.28 13.45 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.482 1.114 . . . . 0.0 109.35 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.947 ' O ' HG22 ' A' ' 16' ' ' THR . 16.3 m 69.61 -120.9 0.13 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 110.401 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.947 HG22 ' O ' ' A' ' 15' ' ' THR . 2.0 t 62.53 24.86 14.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.506 1.129 . . . . 0.0 110.388 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 16.1 tt0 -175.85 105.31 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.555 1.159 . . . . 0.0 110.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.56 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.4 OUTLIER -81.07 82.54 6.98 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.568 1.167 . . . . 0.0 110.309 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.26 143.88 91.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.11 . . . . 0.0 109.229 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 131.41 14.24 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.467 1.772 . . . . 0.0 111.006 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.858 ' HA ' HD12 ' A' ' 24' ' ' ILE . 0.3 OUTLIER -51.5 -36.59 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 109.274 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.4 t -56.85 -24.75 53.7 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.448 1.092 . . . . 0.0 109.971 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -92.81 -17.08 24.57 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 110.276 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.858 HD12 ' HA ' ' A' ' 21' ' ' VAL . 5.6 mt -92.59 152.87 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 109.291 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.3 -72.01 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.527 1.142 . . . . 0.0 109.257 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.658 HG22 ' HB ' ' A' ' 40' ' ' ILE . 12.1 t -119.18 166.89 12.39 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.134 . . . . 0.0 110.407 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.452 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 9.8 p90 -143.92 150.66 38.72 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.403 1.065 . . . . 0.0 111.034 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.471 ' C ' HD13 ' A' ' 29' ' ' ILE . 0.8 OUTLIER -133.52 120.31 20.64 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 110.426 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 1.093 HG23 HG12 ' A' ' 37' ' ' VAL . 2.4 mm -106.3 137.23 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.309 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.403 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 70.2 p -117.2 161.24 19.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 110.44 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -121.59 -19.67 6.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.552 1.157 . . . . 0.0 110.32 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.444 ' O ' ' N ' ' A' ' 35' ' ' ARG . . . -68.43 -168.31 4.82 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.496 1.123 . . . . 0.0 111.004 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.4 ' C ' ' O ' ' A' ' 32' ' ' GLY . 4.6 m -38.92 -31.07 0.06 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.521 0.777 . . . . 0.0 109.983 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.434 ' N ' ' C ' ' A' ' 32' ' ' GLY . 1.6 mt -65.78 -55.18 18.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.472 1.108 . . . . 0.0 109.311 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.444 ' N ' ' O ' ' A' ' 32' ' ' GLY . 0.0 OUTLIER 36.56 47.78 0.56 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.421 1.076 . . . . 0.0 110.315 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -136.47 157.11 47.56 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.545 1.153 . . . . 0.0 109.304 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 1.093 HG12 HG23 ' A' ' 29' ' ' ILE . 25.5 m -95.86 132.28 40.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.525 1.141 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.505 HD13 ' HA ' ' A' ' 48' ' ' CYS . 24.1 mm -111.26 120.65 62.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.432 ' O ' ' HA ' ' A' ' 46' ' ' LYS . 17.2 m-85 -106.27 116.74 32.46 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.453 1.095 . . . . 0.0 111.0 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.658 ' HB ' HG22 ' A' ' 26' ' ' THR . 7.5 mt -100.99 129.16 52.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.542 1.151 . . . . 0.0 109.317 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.61 HG22 ' HA ' ' A' ' 24' ' ' ILE . 1.3 p -99.1 165.03 11.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.093 . . . . 0.0 110.392 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.07 -17.01 61.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.287 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.78 -18.29 48.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.404 1.065 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.93 -1.07 59.34 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.558 1.161 . . . . 0.0 111.031 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.65 111.39 17.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.432 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 4.8 ptpt -101.92 137.5 40.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.5 p -130.95 153.99 40.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.358 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.505 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.1 p -106.82 139.8 40.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.108 . . . . 0.0 108.302 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.892 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -140.51 155.45 46.64 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 109.289 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -80.92 131.22 60.63 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 3.8 5.3 Favored 'Trans proline' 0 C--N 1.359 1.126 0 O-C-N 124.55 1.816 . . . . 0.0 111.005 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.09 -12.35 59.3 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.143 . . . . 0.0 110.271 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.473 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -84.9 132.72 34.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 0.0 109.323 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.04 -37.98 81.98 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.456 1.098 . . . . 0.0 110.395 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.56 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 6.6 p-90 -62.46 -35.28 78.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 108.032 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.473 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 43.0 t -67.48 -48.06 78.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 11.6 mtp180 -64.77 -33.3 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.533 1.146 . . . . 0.0 110.311 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -69.3 -44.32 72.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.236 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.412 HG12 ' HG3' ' A' ' 63' ' ' MET . 2.7 t -65.64 -37.24 79.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.536 1.147 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.8 -40.36 82.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.135 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.08 -46.06 92.18 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.301 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.462 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.6 t -73.04 -42.95 62.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.531 1.145 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.473 ' HG2' ' CG2' ' A' ' 21' ' ' VAL . 0.0 OUTLIER -40.85 -36.24 0.61 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 0.0 111.056 179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -61.12 -47.03 88.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.586 1.179 . . . . 0.0 109.278 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.462 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.2 OUTLIER -71.33 -30.16 65.87 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.581 1.175 . . . . 0.0 110.29 179.988 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 -36.16 83.0 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.207 -179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 46.6 t -124.54 47.77 2.06 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.093 . . . . 0.0 109.99 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.416 ' O ' ' N ' ' A' ' 71' ' ' ASN . 0.2 OUTLIER -96.65 -52.57 3.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 109.284 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.499 ' OG1' ' CE ' ' A' ' 73' ' ' MET . 1.1 t -46.99 -24.19 0.58 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 0.0 110.351 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -72.19 -38.82 68.98 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.474 1.109 . . . . 0.0 110.277 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.416 ' N ' ' O ' ' A' ' 68' ' ' ASN . 5.2 m-20 -55.39 110.82 0.75 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.449 1.093 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.452 ' O ' ' O ' ' A' ' 73' ' ' MET . 60.0 m-80 39.39 48.57 1.72 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.131 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 1.022 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -37.78 -95.08 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 110.998 -179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 1.022 HG23 ' O ' ' A' ' 73' ' ' MET . 0.7 OUTLIER 170.02 163.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 109.319 -179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.49 ' O ' ' CG ' ' A' ' 75' ' ' GLN . 2.8 pt20 -95.64 75.37 3.23 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.5 1.125 . . . . 0.0 110.297 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 2.7 t -46.26 132.15 10.14 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.447 1.092 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.8 ttmt -145.37 130.84 9.33 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.48 1.112 . . . . 0.0 109.338 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 141.27 26.65 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.441 1.758 . . . . 0.0 111.035 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 34.9 p -55.59 174.64 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -86.34 -104.71 0.77 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.55 1.156 . . . . 0.0 110.948 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.57 HG23 ' N ' ' A' ' 82' ' ' GLN . 8.8 t -132.73 -139.58 0.19 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 0.766 . . . . 0.0 110.369 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.57 ' N ' HG23 ' A' ' 81' ' ' THR . 2.0 tt0 -163.96 171.03 15.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.575 1.172 . . . . 0.0 110.299 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -107.69 161.24 15.06 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.5 1.125 . . . . 0.0 110.364 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 35.2 p -159.29 153.09 23.07 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 0.0 109.981 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.7 t -111.51 -163.54 0.86 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 0.0 110.431 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -168.66 163.85 12.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.418 1.074 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.416 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 78.9 p -124.75 166.44 16.19 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.55 1.156 . . . . 0.0 110.418 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.416 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 179.55 98.59 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.519 1.137 . . . . 0.0 109.344 -179.925 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.4 ' O ' HG13 ' A' ' 89' ' ' VAL . 9.9 p -133.01 121.23 43.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.317 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -106.43 150.66 25.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.415 1.072 . . . . 0.0 110.416 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.534 HD12 ' N ' ' A' ' 92' ' ' THR . 1.2 tp -101.96 127.36 48.86 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.534 ' N ' HD12 ' A' ' 91' ' ' LEU . 1.3 t -44.54 144.4 1.09 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 110.395 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.494 1.121 . . . . 0.0 111.013 179.974 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 48.24 -160.97 0.52 Allowed Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.562 1.164 . . . . 0.0 111.032 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.452 ' O ' HG23 ' A' ' 5' ' ' VAL . 0.5 OUTLIER -133.5 178.91 6.56 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 0.764 . . . . 0.0 110.009 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -40.75 156.74 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.429 1.081 . . . . 0.0 110.359 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.517 ' O ' ' CB ' ' A' ' 6' ' ' SER . 32.2 t -147.34 156.83 10.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.448 1.093 . . . . 0.0 109.283 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.517 ' CB ' ' O ' ' A' ' 5' ' ' VAL . 0.2 OUTLIER 86.39 -17.41 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.436 1.085 . . . . 0.0 110.018 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -102.84 -17.4 15.56 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 0.0 109.244 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.54 -71.8 0.35 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.133 . . . . 0.0 109.281 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.42 ' NH1' HD13 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -91.08 -72.94 0.55 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.493 1.12 . . . . 0.0 110.319 -179.958 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.583 HG21 HD12 ' A' ' 38' ' ' ILE . 0.9 OUTLIER -167.75 -42.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 1.109 . . . . 0.0 110.364 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.411 ' SG ' ' O ' ' A' ' 13' ' ' SER . 14.3 p -130.71 -157.55 0.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 108.302 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -94.72 -80.51 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.358 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.411 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.3 OUTLIER -114.52 -163.11 0.85 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 0.0 109.968 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.435 HD23 ' HA ' ' A' ' 14' ' ' LEU . 17.1 mt -107.5 105.0 14.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.563 1.164 . . . . 0.0 109.307 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.537 ' O ' HG22 ' A' ' 16' ' ' THR . 8.0 m 72.58 -125.69 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 110.358 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.657 HG23 ' O ' ' A' ' 16' ' ' THR . 0.5 OUTLIER 70.3 19.77 6.4 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.528 1.142 . . . . 0.0 110.328 179.94 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -173.16 111.5 0.21 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.332 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.554 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.0 85.8 5.56 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 0.0 110.341 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.7 138.66 73.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 126.86 10.2 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.538 1.809 . . . . 0.0 110.965 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.87 ' HA ' HD12 ' A' ' 24' ' ' ILE . 6.1 p -52.01 -32.42 15.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 109.329 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -59.77 -22.88 62.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.526 1.141 . . . . 0.0 110.049 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.26 -19.93 16.84 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 110.344 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.87 HD12 ' HA ' ' A' ' 21' ' ' VAL . 10.3 mt -82.6 145.75 8.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 109.371 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.472 ' CG ' ' HD3' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -96.93 -72.85 0.62 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.421 1.076 . . . . 0.0 109.343 179.962 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.3 t -131.6 -178.4 4.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.439 1.087 . . . . 0.0 110.376 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.439 ' N ' ' CD1' ' A' ' 27' ' ' TYR . 4.6 p90 -144.15 153.7 42.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.541 1.151 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -135.18 124.29 24.38 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.382 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 84.5 mt -110.43 137.5 42.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.281 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 32.9 p -107.54 163.43 13.08 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 110.413 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.402 ' O ' ' O ' ' A' ' 32' ' ' GLY . 0.4 OUTLIER -117.1 -18.21 10.1 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 110.302 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.402 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -53.61 -167.85 0.02 OUTLIER Glycine 0 CA--C 1.529 0.924 0 O-C-N 124.552 1.157 . . . . 0.0 111.011 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 52.7 p -64.21 -10.19 21.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.396 0.703 . . . . 0.0 109.956 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.42 HD13 ' NH1' ' A' ' 9' ' ' ARG . 1.2 tp -82.79 -52.43 6.75 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.412 1.07 . . . . 0.0 109.251 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.405 ' C ' ' O ' ' A' ' 34' ' ' LEU . 7.7 ttp180 38.09 76.71 0.05 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.446 1.091 . . . . 0.0 110.308 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -141.72 156.33 45.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.566 1.166 . . . . 0.0 109.252 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.565 HG21 ' CG1' ' A' ' 56' ' ' VAL . 3.0 m -96.63 117.46 41.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.453 1.096 . . . . 0.0 109.332 179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.804 HG21 ' HE2' ' A' ' 46' ' ' LYS . 15.8 mm -96.18 132.64 39.94 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.465 1.103 . . . . 0.0 109.304 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' HB2' HG12 ' A' ' 47' ' ' VAL . 45.2 m-85 -112.73 118.73 35.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.55 1.156 . . . . 0.0 111.051 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 10.9 mt -101.18 132.91 46.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.424 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 9.6 p -98.95 167.04 10.99 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.415 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.472 ' HD3' ' CG ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -56.05 -47.41 77.96 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.332 179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.15 -21.82 5.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 102.76 5.99 47.09 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.2 OUTLIER -80.84 121.73 26.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.495 0.762 . . . . 0.0 109.315 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.804 ' HE2' HG21 ' A' ' 38' ' ' ILE . 5.2 ptmt -106.6 136.85 45.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.42 1.075 . . . . 0.0 109.217 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.611 HG22 ' H ' ' A' ' 48' ' ' CYS . 4.2 p -126.67 176.1 7.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.416 0 O-C-N 124.417 1.073 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.611 ' H ' HG22 ' A' ' 47' ' ' VAL . 1.8 m -121.43 151.4 40.24 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.552 1.157 . . . . 0.0 108.277 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.451 ' O ' HG22 ' A' ' 37' ' ' VAL . . . -152.82 154.64 35.55 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.334 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -85.23 130.67 50.95 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.3 Cg_endo -74.98 1.33 7.85 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.443 1.759 . . . . 0.0 110.962 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.52 -16.2 52.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.573 1.17 . . . . 0.0 110.286 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -83.59 131.72 34.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.2 m -69.99 -38.78 76.1 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.448 1.092 . . . . 0.0 110.435 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.554 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.4 p-90 -59.96 -39.54 85.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 107.993 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.852 ' O ' HG23 ' A' ' 60' ' ' VAL . 24.9 t -67.97 -48.31 75.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.517 1.135 . . . . 0.0 109.35 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 4.9 mtp180 -61.39 -33.72 74.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.563 1.165 . . . . 0.0 110.339 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 7.4 t0 -69.62 -44.07 71.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.445 1.091 . . . . 0.0 109.348 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.415 HG21 ' HZ3' ' A' ' 55' ' ' TRP . 2.4 t -66.36 -36.92 78.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.852 HG23 ' O ' ' A' ' 56' ' ' VAL . 74.2 t -58.94 -40.55 80.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 0.0 109.343 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -58.0 -44.44 87.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.336 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.459 ' O ' ' N ' ' A' ' 65' ' ' ARG . 2.0 t -73.35 -43.53 60.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 0.0 110.021 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.722 ' SD ' HG23 ' A' ' 21' ' ' VAL . 62.5 mmm -41.4 -33.34 0.4 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 110.944 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . . . . . . . . . 7.2 t0 -62.05 -46.96 86.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.265 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -71.43 -29.06 64.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.512 1.132 . . . . 0.0 110.292 179.98 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.22 -36.12 82.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.364 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.8 t -115.49 41.37 2.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.992 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 -94.9 -52.65 4.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.32 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 1.2 m -87.07 -38.3 16.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.602 1.189 . . . . 0.0 110.412 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.15 -49.97 3.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 110.252 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.432 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 31.9 t-20 -40.22 147.47 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.125 . . . . 0.0 109.251 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.432 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 2.1 t-20 77.88 -56.38 0.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.533 ' HA ' ' CE ' ' A' ' 73' ' ' MET . 4.4 tpt 36.51 92.09 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.691 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -122.33 -172.37 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 109.279 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 74' ' ' ILE . 0.0 OUTLIER 37.86 58.79 1.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 0.0 110.305 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 12.7 t -39.0 136.13 0.82 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.123 . . . . 0.0 110.42 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.1 pttt -61.67 155.64 59.32 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.492 1.12 . . . . 0.0 109.265 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.11 142.76 27.92 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.444 1.76 . . . . 0.0 110.993 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.491 HG22 ' N ' ' A' ' 80' ' ' GLY . 94.7 m -71.67 174.05 7.28 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.561 1.163 . . . . 0.0 110.352 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.491 ' N ' HG22 ' A' ' 79' ' ' THR . . . -94.14 -112.84 2.39 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.549 1.156 . . . . 0.0 111.001 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.455 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 9.3 t -161.58 -148.02 0.14 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.497 0.763 . . . . 0.0 110.403 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.455 ' N ' ' OG1' ' A' ' 81' ' ' THR . 1.3 tt0 -167.82 168.71 12.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.41 1.069 . . . . 0.0 110.265 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 8.0 tt0 -139.76 161.03 38.53 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.26 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -142.54 170.17 16.2 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.568 1.168 . . . . 0.0 109.961 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 93.9 m -140.81 166.96 23.35 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 110.401 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -123.58 153.18 41.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.221 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 40.8 p -135.55 -179.88 5.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.418 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -172.6 109.69 0.21 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.114 . . . . 0.0 109.281 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.414 HG13 ' O ' ' A' ' 89' ' ' VAL . 8.8 p -159.56 120.11 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . 0.442 HG22 HD23 ' A' ' 91' ' ' LEU . 23.2 m -121.65 152.5 39.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.361 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.442 HD23 HG22 ' A' ' 90' ' ' THR . 0.4 OUTLIER -42.96 161.47 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.474 1.109 . . . . 0.0 109.325 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 80.6 p -66.0 178.26 1.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 0.0 110.372 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.998 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.353 -0.61 . . . . 0.0 109.353 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 104.31 -139.19 14.47 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.464 1.103 . . . . 0.0 111.02 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -105.16 -167.66 1.37 Allowed 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 0.763 . . . . 0.0 109.97 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.491 ' O ' HG12 ' A' ' 5' ' ' VAL . 0.9 OUTLIER -50.94 -178.05 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 1.112 . . . . 0.0 110.333 -179.921 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.673 HG13 ' N ' ' A' ' 6' ' ' SER . 0.4 OUTLIER 70.49 -179.58 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 109.308 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.673 ' N ' HG13 ' A' ' 5' ' ' VAL . 0.4 OUTLIER 89.24 -24.32 0.09 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.595 1.185 . . . . 0.0 109.954 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.447 ' O ' ' N ' ' A' ' 9' ' ' ARG . 0.1 OUTLIER -108.53 -36.66 6.15 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.292 -179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 7.2 mmtt 64.32 -78.66 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 0.0 109.238 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.447 ' N ' ' O ' ' A' ' 7' ' ' ASP . 1.5 tpt180 -129.9 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.124 . . . . 0.0 110.264 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.24 -49.74 1.19 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.498 1.124 . . . . 0.0 110.39 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 6.5 p -109.65 -174.35 2.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.582 1.176 . . . . 0.0 108.255 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 HG22 ' O ' ' A' ' 6' ' ' SER . 94.4 t -94.69 -76.94 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -115.66 -163.34 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.482 HD22 ' N ' ' A' ' 50' ' ' ASP . 6.4 mt -106.51 102.18 11.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.555 ' O ' HG22 ' A' ' 16' ' ' THR . 2.2 m 70.7 -136.7 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.453 1.096 . . . . 0.0 110.359 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.555 HG22 ' O ' ' A' ' 15' ' ' THR . 0.5 OUTLIER 80.76 -4.33 1.77 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.485 1.116 . . . . 0.0 110.393 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 10.3 pt20 -140.12 85.89 2.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.517 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -64.62 86.17 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.452 1.095 . . . . 0.0 110.229 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 5.4 mp -82.15 141.01 46.14 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 109.248 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.01 131.19 14.01 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.453 1.765 . . . . 0.0 111.039 179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.461 HG23 HG22 ' A' ' 59' ' ' VAL . 0.5 OUTLIER -52.33 -25.76 7.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 27.2 t -64.66 -29.72 70.72 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.571 1.169 . . . . 0.0 109.998 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -91.31 -25.73 19.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.548 1.155 . . . . 0.0 110.31 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.464 HG22 ' CE ' ' A' ' 63' ' ' MET . 12.5 mt -82.61 145.17 8.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.533 1.146 . . . . 0.0 109.335 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.402 ' O ' ' SD ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -96.68 -77.41 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.482 1.113 . . . . 0.0 109.266 -179.999 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.424 ' CG2' HD12 ' A' ' 40' ' ' ILE . 6.3 t -123.45 176.44 6.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.517 1.135 . . . . 0.0 110.384 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.593 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 16.9 p90 -142.99 161.28 38.53 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.453 1.096 . . . . 0.0 110.963 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.72 124.54 17.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 37.5 mt -110.7 137.15 44.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.367 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.485 HG21 HD23 ' A' ' 34' ' ' LEU . 38.0 p -101.75 165.87 10.98 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.479 1.112 . . . . 0.0 110.334 -179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -118.18 -20.39 8.64 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.61 1.194 . . . . 0.0 110.296 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . . . . . . . . . . . -55.02 -166.45 0.03 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.523 1.139 . . . . 0.0 110.979 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -64.37 -10.56 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 0.79 . . . . 0.0 109.953 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.579 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.7 OUTLIER -82.45 -52.3 7.01 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.441 1.088 . . . . 0.0 109.311 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.41 ' HA ' ' O ' ' A' ' 30' ' ' THR . 27.5 ttt180 37.82 62.02 0.97 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 0.0 110.316 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.579 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -121.56 156.47 32.82 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.098 . . . . 0.0 109.36 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.62 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -96.6 119.66 44.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.464 1.102 . . . . 0.0 109.234 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.617 HD13 ' HA ' ' A' ' 48' ' ' CYS . 15.9 mm -98.65 132.56 43.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 109.323 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -116.94 117.87 30.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 110.948 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.424 HD12 ' CG2' ' A' ' 26' ' ' THR . 6.6 mt -100.04 129.31 50.91 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.496 1.122 . . . . 0.0 109.263 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 1.2 p -99.44 166.58 11.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.471 1.107 . . . . 0.0 110.367 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.66 -25.05 67.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.389 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -72.67 -19.86 61.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.281 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 98.98 -0.41 57.52 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.496 1.122 . . . . 0.0 110.998 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.42 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -81.14 110.86 17.04 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 0.778 . . . . 0.0 109.283 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.0 ptpt -99.12 130.59 45.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.294 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.42 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.3 OUTLIER -124.77 156.31 33.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.438 1.086 . . . . 0.0 109.233 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.617 ' HA ' HD13 ' A' ' 38' ' ' ILE . 10.6 p -104.9 151.21 24.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.523 1.14 . . . . 0.0 108.294 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.62 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -148.68 154.35 39.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 109.258 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.482 ' N ' HD22 ' A' ' 14' ' ' LEU . 5.8 m-20 -81.85 131.06 58.35 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.305 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.439 1.758 . . . . 0.0 111.061 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.54 -7.76 59.63 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.497 1.123 . . . . 0.0 110.306 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.435 ' HB3' ' HB ' ' A' ' 56' ' ' VAL . . . -87.18 127.2 35.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.447 1.092 . . . . 0.0 109.321 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -67.29 -39.31 85.98 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.114 . . . . 0.0 110.399 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.519 ' CE2' HG23 ' A' ' 56' ' ' VAL . 4.6 p-90 -62.18 -35.74 79.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.54 1.15 . . . . 0.0 108.027 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.78 ' O ' HG23 ' A' ' 60' ' ' VAL . 9.0 t -68.2 -47.97 75.87 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.546 1.153 . . . . 0.0 109.271 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.43 -36.38 71.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 0.0 110.332 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -70.12 -44.28 69.27 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.461 HG22 HG23 ' A' ' 21' ' ' VAL . 0.4 OUTLIER -60.62 -36.27 69.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.78 HG23 ' O ' ' A' ' 56' ' ' VAL . 92.5 t -58.73 -40.88 80.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.22 -46.88 87.3 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.448 1.092 . . . . 0.0 110.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.15 -33.36 67.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.118 . . . . 0.0 110.037 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.593 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 18.9 tpp -62.05 -66.03 0.6 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.163 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.419 ' N ' ' HG3' ' A' ' 63' ' ' MET . 4.0 t0 -56.41 -31.47 63.92 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.1 . . . . 0.0 109.284 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -69.27 -26.75 64.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.545 1.153 . . . . 0.0 110.267 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -87.58 -36.44 17.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.554 1.159 . . . . 0.0 109.341 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t -113.86 41.34 2.24 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 110.038 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -64.92 -69.07 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.515 1.134 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 4.7 t -51.06 -38.49 51.85 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.524 1.14 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 3.0 mpt_? -60.52 -54.4 45.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 110.287 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.495 ' O ' ' CB ' ' A' ' 72' ' ' ASN . 1.5 m120 -39.34 150.44 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 109.321 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.495 ' CB ' ' O ' ' A' ' 71' ' ' ASN . 3.7 m-20 81.62 -55.55 0.26 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.461 1.1 . . . . 0.0 109.247 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.456 ' HG3' ' N ' ' A' ' 74' ' ' ILE . 1.1 tpt 58.7 138.0 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.533 1.146 . . . . 0.0 110.968 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.756 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -133.18 -165.45 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.508 1.13 . . . . 0.0 109.319 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 -119.22 62.67 0.8 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.386 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 4.6 m 51.38 99.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.154 . . . . 0.0 110.345 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 15.3 mmtt -45.91 158.22 0.37 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 137.06 21.22 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.486 1.782 . . . . 0.0 111.014 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.436 ' OG1' ' N ' ' A' ' 80' ' ' GLY . 8.9 t -167.75 -163.24 0.48 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.53 1.144 . . . . 0.0 110.368 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.436 ' N ' ' OG1' ' A' ' 79' ' ' THR . . . -108.1 65.06 0.25 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.518 1.136 . . . . 0.0 111.006 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.467 ' OG1' ' N ' ' A' ' 82' ' ' GLN . 0.1 OUTLIER -46.18 172.88 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 0.753 . . . . 0.0 110.403 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.467 ' N ' ' OG1' ' A' ' 81' ' ' THR . 3.6 mt-30 -132.07 144.7 50.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.467 1.104 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.8 tt0 -166.89 152.57 7.94 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.491 1.119 . . . . 0.0 110.281 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 9.2 p -169.9 170.09 7.9 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.477 1.111 . . . . 0.0 110.025 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.42 HG23 ' N ' ' A' ' 86' ' ' ASN . 8.4 t -171.82 -162.75 0.23 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.499 1.125 . . . . 0.0 110.371 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.422 ' C ' HG23 ' A' ' 87' ' ' THR . 5.3 t-20 174.49 167.27 0.25 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.422 HG23 ' C ' ' A' ' 86' ' ' ASN . 18.0 p -154.17 179.46 8.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 110.432 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.36 82.73 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 109.333 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.527 ' O ' HG13 ' A' ' 89' ' ' VAL . 11.3 p -145.2 109.86 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.467 1.104 . . . . 0.0 109.315 -179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 10.0 m -146.78 156.46 43.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.506 HD12 ' N ' ' A' ' 92' ' ' THR . 1.4 tp -112.75 135.09 53.9 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.57 1.169 . . . . 0.0 109.255 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.506 ' N ' HD12 ' A' ' 91' ' ' LEU . 43.8 p -53.96 147.75 11.79 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.466 1.104 . . . . 0.0 110.419 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 O-C-N 124.486 1.116 . . . . 0.0 111.023 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.452 -0.371 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -111.38 171.6 14.45 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.492 1.12 . . . . 0.0 111.044 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -155.78 -179.66 8.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.555 0.797 . . . . 0.0 109.996 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.77 172.83 11.46 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.448 1.092 . . . . 0.0 110.293 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.59 HG23 ' C ' ' A' ' 8' ' ' LYS . 7.1 p 40.55 58.55 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.096 . . . . 0.0 109.304 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.41 -27.84 39.55 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.054 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -131.88 -50.09 0.96 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.503 1.127 . . . . 0.0 109.261 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.59 ' C ' HG23 ' A' ' 5' ' ' VAL . 4.1 ptpp? -172.94 -163.14 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.348 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -128.46 -68.92 0.74 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.434 1.084 . . . . 0.0 110.337 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.425 HG21 HD12 ' A' ' 38' ' ' ILE . 1.3 m -112.95 -58.29 2.17 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.456 1.097 . . . . 0.0 110.366 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.423 ' CB ' ' HA ' ' A' ' 47' ' ' VAL . 7.7 p -128.53 -158.57 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.487 1.117 . . . . 0.0 108.271 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 72.3 t -93.35 -84.32 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.422 1.077 . . . . 0.0 109.272 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.415 ' O ' ' SG ' ' A' ' 11' ' ' CYS . 0.2 OUTLIER -112.27 -163.14 0.83 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.662 HD22 ' C ' ' A' ' 49' ' ' ALA . 7.8 mt -106.05 104.91 14.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.549 1.156 . . . . 0.0 109.356 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.641 ' O ' HG22 ' A' ' 16' ' ' THR . 3.6 m 71.73 -131.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.36 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.641 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.22 12.96 0.42 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 110.365 179.948 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 5.6 tt0 179.97 106.78 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.441 1.088 . . . . 0.0 110.339 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.55 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 3.2 ttm105 -63.05 84.94 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.466 1.104 . . . . 0.0 110.283 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.751 HD13 ' HD2' ' A' ' 20' ' ' PRO . 1.2 mm? -53.64 142.4 42.3 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.479 1.112 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.751 ' HD2' HD13 ' A' ' 19' ' ' LEU . 18.3 Cg_endo -74.92 112.15 3.49 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.418 1.746 . . . . 0.0 110.98 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.868 HG21 HG22 ' A' ' 59' ' ' VAL . 69.6 t -51.05 -38.76 18.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 109.238 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -56.66 -17.17 7.88 Favored 'General case' 0 C--N 1.323 -0.548 0 O-C-N 124.555 1.16 . . . . 0.0 109.978 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.442 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.9 OUTLIER -107.84 -15.51 14.54 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.328 179.943 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.854 HD12 ' HA ' ' A' ' 21' ' ' VAL . 19.3 mt -84.27 142.55 13.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.06 -78.85 0.53 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.364 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -122.74 175.64 6.41 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.518 1.136 . . . . 0.0 110.458 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.599 ' CD1' ' SD ' ' A' ' 63' ' ' MET . 5.6 p90 -144.39 159.79 42.14 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.467 1.104 . . . . 0.0 110.973 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.42 ' N ' ' O ' ' A' ' 38' ' ' ILE . 0.8 OUTLIER -136.42 120.1 17.23 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.399 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 63.0 mt -101.73 133.56 44.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.256 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 1.9 p -97.09 160.5 14.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.124 . . . . 0.0 110.433 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -119.21 -20.46 7.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.508 1.13 . . . . 0.0 110.307 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -71.69 -172.6 16.37 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.487 1.117 . . . . 0.0 111.007 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.38 -28.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 110.059 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 0.6 OUTLIER -63.38 -56.71 14.11 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.418 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.2 OUTLIER 37.05 62.68 0.78 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.304 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.456 ' HB1' HD21 ' A' ' 14' ' ' LEU . . . -138.77 155.95 47.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 109.31 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.521 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.8 m -97.09 118.31 43.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 109.243 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.779 HG23 ' O ' ' A' ' 47' ' ' VAL . 18.1 mm -96.85 131.49 43.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.459 1.099 . . . . 0.0 109.33 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.651 ' HB2' HG12 ' A' ' 47' ' ' VAL . 35.8 m-85 -112.18 119.63 39.02 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.071 . . . . 0.0 110.984 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.479 HG12 ' CG ' ' A' ' 46' ' ' LYS . 2.9 mt -98.14 127.41 50.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.27 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.432 ' HA ' ' HA ' ' A' ' 24' ' ' ILE . 0.8 OUTLIER -99.82 164.91 11.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 110.417 179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -52.5 -44.41 65.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 109.243 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.68 -18.59 4.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.447 1.092 . . . . 0.0 110.286 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.13 8.97 64.13 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.503 1.127 . . . . 0.0 110.955 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.617 HD12 ' N ' ' A' ' 46' ' ' LYS . 0.5 OUTLIER -80.41 118.71 22.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.423 0.72 . . . . 0.0 109.307 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.617 ' N ' HD12 ' A' ' 45' ' ' LEU . 3.1 mtpt -92.33 124.55 36.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.454 1.096 . . . . 0.0 109.336 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.779 ' O ' HG23 ' A' ' 38' ' ' ILE . 0.3 OUTLIER -118.11 171.5 6.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.584 1.178 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.626 ' HA ' HD13 ' A' ' 38' ' ' ILE . 1.8 m -124.92 144.08 50.53 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 108.227 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.662 ' C ' HD22 ' A' ' 14' ' ' LEU . . . -143.46 154.2 43.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.497 1.123 . . . . 0.0 109.286 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.413 ' N ' HD22 ' A' ' 14' ' ' LEU . 1.3 m-20 -85.68 130.5 50.7 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.262 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.461 ' HB3' ' CG1' ' A' ' 37' ' ' VAL . 18.2 Cg_endo -75.03 1.12 8.11 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.489 1.784 . . . . 0.0 111.007 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -81.75 -7.85 59.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.423 1.077 . . . . 0.0 110.261 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.643 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -88.32 127.56 35.48 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.601 1.188 . . . . 0.0 109.233 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.6 m -70.18 -38.4 75.37 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.442 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.581 ' HZ3' HG21 ' A' ' 59' ' ' VAL . 4.7 p-90 -60.28 -32.8 71.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 108.01 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.643 ' CG2' ' HB3' ' A' ' 53' ' ' ALA . 63.9 t -65.28 -47.82 85.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 O-C-N 124.431 1.082 . . . . 0.0 109.328 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -61.89 -35.13 77.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 110.274 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.76 -43.78 71.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.402 1.064 . . . . 0.0 109.305 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.868 HG22 HG21 ' A' ' 21' ' ' VAL . 1.0 OUTLIER -63.04 -36.1 74.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.575 HG23 ' O ' ' A' ' 56' ' ' VAL . 26.4 t -57.27 -40.89 76.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 0.0 109.273 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.6 -40.86 93.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.466 1.104 . . . . 0.0 110.275 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -73.83 -34.91 64.75 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 110.018 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.599 ' SD ' ' CD1' ' A' ' 27' ' ' TYR . 0.7 OUTLIER -73.54 -48.49 32.66 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.09 . . . . 0.0 110.987 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.59 ' N ' ' CG ' ' A' ' 63' ' ' MET . 28.9 t0 -54.36 -45.81 72.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.41 1.068 . . . . 0.0 109.357 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.89 -25.55 63.75 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.476 1.11 . . . . 0.0 110.299 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.27 -36.79 46.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 63' ' ' MET . 0.0 OUTLIER -91.16 31.08 1.14 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.101 . . . . 0.0 110.01 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -95.49 -69.55 0.75 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.316 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 70' ' ' ARG . 8.4 t -103.79 46.48 0.92 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.535 1.147 . . . . 0.0 110.386 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.433 ' C ' ' O ' ' A' ' 69' ' ' THR . 0.0 OUTLIER -36.5 -57.13 0.78 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.51 1.131 . . . . 0.0 110.246 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 72' ' ' ASN . 4.8 m120 48.82 58.54 5.21 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.525 1.141 . . . . 0.0 109.327 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.437 ' O ' ' C ' ' A' ' 73' ' ' MET . 7.0 m120 39.85 69.2 0.32 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.594 1.184 . . . . 0.0 109.397 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.53 ' O ' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -34.36 -55.79 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.551 1.157 . . . . 0.0 111.001 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.53 HG23 ' O ' ' A' ' 73' ' ' MET . 1.1 pt -154.7 147.93 13.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 109.246 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.449 ' C ' HG23 ' A' ' 76' ' ' THR . 1.6 mt-30 -150.69 63.3 0.93 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.433 1.083 . . . . 0.0 110.307 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.449 HG23 ' C ' ' A' ' 75' ' ' GLN . 72.9 p -152.73 171.59 17.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.119 . . . . 0.0 110.354 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -159.42 74.23 3.28 Favored Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.555 1.16 . . . . 0.0 109.329 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 146.07 32.63 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.564 1.823 . . . . 0.0 111.032 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.41 HG22 ' H ' ' A' ' 80' ' ' GLY . 7.3 m -149.12 172.18 15.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.386 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . 0.41 ' H ' HG22 ' A' ' 79' ' ' THR . . . 178.08 74.26 0.06 OUTLIER Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.497 1.123 . . . . 0.0 111.007 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 72.5 p -57.08 164.67 1.57 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.481 0.754 . . . . 0.0 110.439 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 -166.89 131.96 2.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.3 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.9 tt0 -165.5 156.5 13.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.42 1.075 . . . . 0.0 110.328 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 174.86 168.43 0.27 Allowed 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.468 HG22 ' N ' ' A' ' 86' ' ' ASN . 97.1 m -132.16 171.42 13.67 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.347 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.468 ' N ' HG22 ' A' ' 85' ' ' THR . 5.5 p-10 -90.28 158.51 17.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.427 1.08 . . . . 0.0 109.303 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 36.9 p -135.61 159.86 40.31 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.577 1.173 . . . . 0.0 110.387 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -176.3 110.35 0.09 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.474 ' O ' HG13 ' A' ' 89' ' ' VAL . 7.8 p -155.97 114.51 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.456 1.098 . . . . 0.0 109.272 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 42.6 m -144.2 151.62 39.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.114 . . . . 0.0 110.437 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -110.16 134.41 52.23 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.341 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . . . . . . . . . 1.3 t -90.28 150.06 22.09 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.511 1.132 . . . . 0.0 110.979 179.929 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 6.0 p . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.333 -0.617 . . . . 0.0 109.333 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 113.39 -161.43 12.7 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.477 1.111 . . . . 0.0 111.045 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -55.33 153.57 7.06 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.56 0.8 . . . . 0.0 109.957 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -91.25 135.13 34.01 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 0.0 110.266 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 6' ' ' SER . 1.4 p -143.92 -177.21 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 O-C-N 124.491 1.119 . . . . 0.0 109.321 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.622 ' H ' HG22 ' A' ' 5' ' ' VAL . 0.1 OUTLIER 81.12 -7.74 1.48 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.971 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -113.08 -16.48 12.61 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.453 1.096 . . . . 0.0 109.287 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.15 -170.04 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.454 1.096 . . . . 0.0 109.352 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.3 tpt85 -104.42 -69.38 0.81 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.445 1.091 . . . . 0.0 110.248 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.735 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.7 m -121.33 -39.39 2.68 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.422 1.076 . . . . 0.0 110.434 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.735 ' SG ' HG22 ' A' ' 10' ' ' THR . 1.9 m -142.26 -146.1 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.555 1.16 . . . . 0.0 108.287 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -100.85 -91.57 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.137 . . . . 0.0 109.243 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 15.7 p -110.03 -163.22 0.84 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.03 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.608 HD22 ' C ' ' A' ' 49' ' ' ALA . 10.6 mt -112.63 93.11 4.27 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.687 ' O ' HG22 ' A' ' 16' ' ' THR . 2.5 m 71.73 -133.53 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.422 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.687 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 83.6 -7.79 1.1 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 110.452 -179.934 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.505 ' CG ' ' O ' ' A' ' 17' ' ' GLN . 6.7 pt20 -146.36 88.16 1.77 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 110.327 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.506 ' HG2' ' CH2' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -54.12 89.18 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.425 1.078 . . . . 0.0 110.326 179.931 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.559 HD23 ' HD2' ' A' ' 20' ' ' PRO . 0.1 OUTLIER -68.45 160.64 75.15 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.293 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.559 ' HD2' HD23 ' A' ' 19' ' ' LEU . 18.4 Cg_endo -75.02 106.86 2.36 Favored 'Trans proline' 0 C--N 1.359 1.102 0 O-C-N 124.492 1.785 . . . . 0.0 111.033 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 1.034 HG21 HG11 ' A' ' 59' ' ' VAL . 92.1 t -51.38 -43.7 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -56.46 -17.76 9.22 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.481 1.113 . . . . 0.0 109.984 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.423 ' HB2' ' HG2' ' A' ' 20' ' ' PRO . 0.2 OUTLIER -101.82 0.68 36.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.774 HG22 ' HE1' ' A' ' 63' ' ' MET . 64.7 mt -92.12 139.37 18.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 109.346 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' CE ' ' A' ' 63' ' ' MET . 3.4 ttpt -93.97 -80.54 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 0.0 109.268 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.823 ' CG2' HD13 ' A' ' 40' ' ' ILE . 3.1 t -122.75 175.37 6.56 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.507 1.129 . . . . 0.0 110.433 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 38' ' ' ILE . 23.2 p90 -145.47 148.92 33.79 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.46 1.1 . . . . 0.0 111.018 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.29 119.46 28.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 0.0 110.404 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.509 HG23 HG12 ' A' ' 37' ' ' VAL . 46.0 mt -111.72 137.33 44.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.492 1.12 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . 0.441 ' O ' ' HA ' ' A' ' 35' ' ' ARG . 68.5 p -127.13 178.65 5.88 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.474 1.109 . . . . 0.0 110.428 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.433 ' HA ' ' HB3' ' A' ' 35' ' ' ARG . 0.0 OUTLIER -130.95 -15.17 3.41 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.341 179.952 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 31' ' ' GLU . . . -51.49 -171.74 0.02 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.501 1.126 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.6 p -48.22 -20.77 0.41 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.427 0.722 . . . . 0.0 110.012 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.555 HD11 ' HB3' ' A' ' 36' ' ' ALA . 0.5 OUTLIER -87.09 -52.07 5.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 109.317 179.973 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.441 ' HA ' ' O ' ' A' ' 30' ' ' THR . 19.4 ptt85 35.98 67.26 0.31 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.487 1.117 . . . . 0.0 110.344 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.555 ' HB3' HD11 ' A' ' 34' ' ' LEU . . . -138.67 157.79 45.46 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.485 1.116 . . . . 0.0 109.314 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.732 HG21 HG11 ' A' ' 56' ' ' VAL . 15.7 m -95.17 122.45 46.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 109.298 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.455 ' O ' ' HA ' ' A' ' 27' ' ' TYR . 4.0 mm -95.52 133.96 34.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.326 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.554 ' CE2' HG13 ' A' ' 56' ' ' VAL . 0.3 OUTLIER -112.71 117.94 33.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 111.014 -179.962 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . 0.823 HD13 ' CG2' ' A' ' 26' ' ' THR . 3.4 mt -99.23 135.93 32.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.6 p -99.54 164.4 12.1 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.505 1.128 . . . . 0.0 110.363 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -56.81 -37.15 70.8 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.335 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 2.5 ttt180 -59.24 -24.21 62.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.69 -0.28 34.32 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.517 1.136 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -81.26 134.63 35.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.638 0.846 . . . . 0.0 109.302 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.7 ptpt -115.77 134.77 54.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.549 1.156 . . . . 0.0 109.316 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.416 ' O ' ' HA ' ' A' ' 38' ' ' ILE . 0.5 OUTLIER -123.37 165.42 19.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 30.3 m -103.26 151.6 22.48 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.535 1.147 . . . . 0.0 108.318 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.608 ' C ' HD22 ' A' ' 14' ' ' LEU . . . -153.25 157.06 39.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 0.0 109.285 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -85.4 134.96 39.36 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.405 ' HB3' HG13 ' A' ' 37' ' ' VAL . 18.1 Cg_endo -75.07 1.53 7.67 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -81.47 -14.76 56.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.579 1.174 . . . . 0.0 110.285 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.459 ' HB3' ' CG2' ' A' ' 56' ' ' VAL . . . -78.92 123.94 27.75 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.54 1.15 . . . . 0.0 109.308 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 1.8 m -68.96 -39.76 79.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 110.396 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.506 ' CH2' ' HG2' ' A' ' 18' ' ' ARG . 19.3 p-90 -59.54 -42.19 91.77 Favored 'General case' 0 C--N 1.325 -0.483 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.751 ' O ' HG23 ' A' ' 60' ' ' VAL . 73.0 t -60.22 -48.21 89.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.461 1.101 . . . . 0.0 109.288 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.14 -32.92 73.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -66.25 -48.44 70.48 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.579 1.174 . . . . 0.0 109.31 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 1.034 HG11 HG21 ' A' ' 21' ' ' VAL . 24.9 m -70.81 -33.22 51.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.571 1.169 . . . . 0.0 109.302 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . 0.751 HG23 ' O ' ' A' ' 56' ' ' VAL . 2.9 t -56.47 -41.52 72.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.02 -47.72 84.2 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.465 1.103 . . . . 0.0 110.276 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.463 ' O ' ' N ' ' A' ' 65' ' ' ARG . 1.4 t -73.66 -47.97 35.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.571 1.169 . . . . 0.0 110.019 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.774 ' HE1' HG22 ' A' ' 24' ' ' ILE . 52.5 mmm -38.32 -30.28 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 110.985 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.43 ' N ' ' O ' ' A' ' 62' ' ' SER . 3.3 t70 -57.01 -47.63 80.42 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.535 1.147 . . . . 0.0 109.297 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.463 ' N ' ' O ' ' A' ' 62' ' ' SER . 1.4 ptt85 -72.19 -30.02 64.55 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.137 . . . . 0.0 110.245 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.51 -35.36 80.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.537 1.148 . . . . 0.0 109.321 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.1 t -99.68 34.4 2.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.501 1.126 . . . . 0.0 109.992 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -40.66 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.314 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . 0.414 ' O ' HG22 ' A' ' 69' ' ' THR . 91.8 m -146.77 35.49 0.94 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 110.418 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . 0.441 ' O ' ' C ' ' A' ' 71' ' ' ASN . 0.0 OUTLIER -53.29 -62.35 1.71 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.523 ' O ' ' HB2' ' A' ' 72' ' ' ASN . 13.3 m-20 -36.91 152.76 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.516 1.135 . . . . 0.0 109.313 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . 0.523 ' HB2' ' O ' ' A' ' 71' ' ' ASN . 4.0 m-20 67.49 -58.26 0.43 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.489 1.118 . . . . 0.0 109.259 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.563 ' HG3' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER 63.59 -73.62 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.543 1.152 . . . . 0.0 111.031 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.563 HG23 ' HG3' ' A' ' 73' ' ' MET . 1.2 pp -140.74 159.27 24.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 77' ' ' LYS . 38.5 mt-30 -102.66 68.81 1.05 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . 0.425 ' C ' ' O ' ' A' ' 75' ' ' GLN . 21.2 p 37.08 -97.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 0.0 110.398 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . 0.438 ' N ' ' O ' ' A' ' 75' ' ' GLN . 0.2 OUTLIER 47.27 68.92 3.03 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.462 1.101 . . . . 0.0 109.352 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 158.2 42.71 Favored 'Trans proline' 0 C--N 1.359 1.098 0 O-C-N 124.509 1.794 . . . . 0.0 111.059 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.2 m -54.04 169.03 0.18 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.388 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -83.55 -65.11 1.58 Allowed Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.512 1.132 . . . . 0.0 111.051 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.615 HG23 ' N ' ' A' ' 82' ' ' GLN . 9.8 t -163.29 -139.42 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 0.725 . . . . 0.0 110.366 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.615 ' N ' HG23 ' A' ' 81' ' ' THR . 0.0 OUTLIER -142.57 123.32 14.25 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.459 1.1 . . . . 0.0 110.298 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -88.06 156.61 19.2 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.43 1.081 . . . . 0.0 110.324 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 39.4 p 178.98 134.57 0.09 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 0.0 109.957 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.9 m -142.32 164.2 30.79 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.523 1.139 . . . . 0.0 110.367 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 177.96 155.93 0.37 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 109.308 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . . . . . . . . . 68.3 p -129.21 164.11 24.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.513 1.133 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -177.2 99.78 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.574 1.171 . . . . 0.0 109.244 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.459 ' O ' HG13 ' A' ' 89' ' ' VAL . 15.0 p -147.72 113.48 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.544 1.152 . . . . 0.0 109.32 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 92.0 m -115.74 151.72 34.59 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.459 1.099 . . . . 0.0 110.416 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.583 HD12 ' N ' ' A' ' 92' ' ' THR . 1.5 tp -109.62 132.5 54.08 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.506 1.129 . . . . 0.0 109.264 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.583 ' N ' HD12 ' A' ' 91' ' ' LEU . 0.9 OUTLIER -148.72 144.2 26.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.436 1.085 . . . . 0.0 110.415 179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.025 0 O-C-N 124.482 1.114 . . . . 0.0 111.026 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 N--CA 1.453 -0.291 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -168.12 157.58 29.89 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.536 1.148 . . . . 0.0 111.007 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.7 m -73.26 169.07 17.86 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.531 0.783 . . . . 0.0 110.004 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . 0.405 ' C ' HG12 ' A' ' 5' ' ' VAL . 10.1 mm-40 -78.05 148.31 34.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.431 HG23 ' HG2' ' A' ' 8' ' ' LYS . 2.2 p 40.98 82.63 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.166 . . . . 0.0 109.374 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.28 -11.36 12.59 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 1.129 . . . . 0.0 109.956 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -129.53 -44.92 1.21 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 -179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.431 ' HG2' HG23 ' A' ' 5' ' ' VAL . 0.0 OUTLIER -74.35 176.46 6.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 10.9 tpt180 -128.0 -68.58 0.77 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.12 . . . . 0.0 110.323 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.493 ' CG2' HD11 ' A' ' 38' ' ' ILE . 1.0 OUTLIER -123.65 -38.02 2.57 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.479 1.112 . . . . 0.0 110.397 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.56 ' SG ' ' N ' ' A' ' 12' ' ' VAL . 0.0 OUTLIER 161.73 167.69 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 0.0 108.322 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.56 ' N ' ' SG ' ' A' ' 11' ' ' CYS . 76.0 t -75.07 -88.9 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.544 1.152 . . . . 0.0 109.3 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.499 ' O ' ' SG ' ' A' ' 48' ' ' CYS . 0.6 OUTLIER -117.13 -167.09 1.25 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.952 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.59 HD23 ' HB2' ' A' ' 48' ' ' CYS . 94.0 mt -91.5 150.47 21.2 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.574 ' O ' HG22 ' A' ' 16' ' ' THR . 0.9 OUTLIER 37.02 -137.63 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 110.361 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.574 HG22 ' O ' ' A' ' 15' ' ' THR . 0.6 OUTLIER 86.39 9.26 0.25 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.453 1.096 . . . . 0.0 110.37 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 13.3 tt0 179.97 106.39 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.249 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.568 ' HG2' ' CZ3' ' A' ' 55' ' ' TRP . 0.0 OUTLIER -80.61 104.15 10.94 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 110.227 -179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 20' ' ' PRO . 7.4 mp -97.6 139.92 21.67 Favored Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.454 1.096 . . . . 0.0 109.266 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 19' ' ' LEU . 18.6 Cg_endo -74.97 133.2 16.35 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.453 1.765 . . . . 0.0 111.025 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' VAL . . . . . 0.937 HG23 HG22 ' A' ' 59' ' ' VAL . 14.8 t -51.22 -31.7 11.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.313 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.1 t -61.35 -25.23 67.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 0.0 110.013 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.89 -27.17 15.84 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.303 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.454 HG22 ' HE1' ' A' ' 63' ' ' MET . 9.2 mt -83.02 142.05 14.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -89.18 -77.4 0.38 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.554 1.159 . . . . 0.0 109.354 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.9 t -125.6 174.91 7.93 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.459 1.1 . . . . 0.0 110.358 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' TYR . . . . . 0.563 ' CD1' ' CG ' ' A' ' 63' ' ' MET . 9.6 p90 -144.51 160.41 41.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.137 . . . . 0.0 110.962 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -139.35 126.74 21.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.545 1.153 . . . . 0.0 110.425 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 50.2 mt -108.3 136.98 42.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.499 1.124 . . . . 0.0 109.312 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 58.7 p -107.39 163.92 12.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.433 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -118.67 -19.77 8.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.3 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLY . . . . . 0.426 ' C ' ' N ' ' A' ' 34' ' ' LEU . . . -68.12 -171.36 6.1 Favored Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.547 1.154 . . . . 0.0 110.955 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -42.04 -27.95 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.437 0.728 . . . . 0.0 110.0 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.426 ' N ' ' C ' ' A' ' 32' ' ' GLY . 2.1 mt -64.37 -56.21 15.92 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.259 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 34' ' ' LEU . 0.8 OUTLIER 37.39 45.9 0.59 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.622 1.201 . . . . 0.0 110.253 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -128.36 157.11 41.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.145 . . . . 0.0 109.325 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' VAL . . . . . 0.621 ' CG2' ' HB3' ' A' ' 49' ' ' ALA . 1.1 m -95.89 130.35 44.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.432 1.082 . . . . 0.0 109.235 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ILE . . . . . 0.493 HD11 ' CG2' ' A' ' 10' ' ' THR . 9.6 mm -104.65 132.53 51.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 109.338 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.506 ' HB2' HG12 ' A' ' 47' ' ' VAL . 20.7 m-85 -116.03 117.73 30.92 Favored 'General case' 0 C--N 1.326 -0.424 0 O-C-N 124.528 1.143 . . . . 0.0 110.953 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ILE . . . . . . . . . . . . . 8.3 mt -98.88 131.04 46.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.632 1.208 . . . . 0.0 109.282 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' A' ' 45' ' ' LEU . 17.2 p -99.38 172.12 7.53 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.092 . . . . 0.0 110.422 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -64.8 -39.54 93.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.58 1.175 . . . . 0.0 109.366 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -21.85 64.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.522 1.139 . . . . 0.0 110.253 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 103.36 3.62 47.37 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 111.021 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.417 ' O ' ' OG1' ' A' ' 41' ' ' THR . 0.1 OUTLIER -80.15 115.46 19.72 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.515 0.774 . . . . 0.0 109.309 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' HA ' ' O ' ' A' ' 39' ' ' PHE . 1.5 mtmm -102.11 134.04 46.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG12 ' HB2' ' A' ' 39' ' ' PHE . 0.3 OUTLIER -129.73 168.81 22.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 0.0 109.325 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . 0.59 ' HB2' HD23 ' A' ' 14' ' ' LEU . 0.3 OUTLIER -116.62 154.05 31.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.453 1.096 . . . . 0.0 108.371 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.621 ' HB3' ' CG2' ' A' ' 37' ' ' VAL . . . -147.07 154.43 41.16 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.524 1.14 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.494 ' CG ' ' CG ' ' A' ' 52' ' ' GLN . 1.6 t0 -80.27 126.44 79.06 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -3.44 13.93 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.498 1.788 . . . . 0.0 110.947 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.494 ' CG ' ' CG ' ' A' ' 50' ' ' ASP . 0.8 OUTLIER -82.81 -20.8 35.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 110.35 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -77.98 137.68 38.43 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.553 1.158 . . . . 0.0 109.269 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 2.1 m -70.25 -37.63 74.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.442 1.089 . . . . 0.0 110.377 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' TRP . . . . . 0.568 ' CZ3' ' HG2' ' A' ' 18' ' ' ARG . 2.1 p-90 -59.61 -39.82 85.48 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.542 1.151 . . . . 0.0 107.925 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.442 HG13 ' HZ ' ' A' ' 39' ' ' PHE . 73.6 t -66.25 -48.09 82.28 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.562 1.164 . . . . 0.0 109.246 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 15.3 mtp180 -61.35 -34.4 75.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.431 1.082 . . . . 0.0 110.341 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASP . . . . . . . . . . . . . 5.2 t70 -69.71 -44.36 70.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.453 1.096 . . . . 0.0 109.278 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' VAL . . . . . 0.937 HG22 HG23 ' A' ' 21' ' ' VAL . 0.9 OUTLIER -62.88 -36.45 75.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' VAL . . . . . . . . . . . . . 2.4 t -58.98 -41.08 82.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.305 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.46 -46.91 88.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.338 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . 0.505 ' O ' ' CB ' ' A' ' 66' ' ' LYS . 0.3 OUTLIER -73.88 -31.56 63.2 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.524 1.14 . . . . 0.0 110.015 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' MET . . . . . 0.563 ' CG ' ' CD1' ' A' ' 27' ' ' TYR . 13.2 tpp -73.01 -57.55 3.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASP . . . . . 0.465 ' O ' ' N ' ' A' ' 68' ' ' ASN . 6.0 t0 -54.48 -46.01 73.31 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.449 ' CD ' ' HA ' ' A' ' 62' ' ' SER . 16.9 ptt180 -69.43 -26.43 64.6 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.628 1.205 . . . . 0.0 110.223 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 62' ' ' SER . 0.5 OUTLIER -80.06 -36.29 35.83 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 109.273 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' MET . 23.0 t -128.12 50.71 2.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.481 1.113 . . . . 0.0 109.95 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASN . . . . . 0.465 ' N ' ' O ' ' A' ' 64' ' ' ASP . 0.2 OUTLIER -78.06 -53.47 7.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.954 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' THR . . . . . . . . . . . . . 6.0 t -88.52 -44.34 10.76 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.539 1.149 . . . . 0.0 110.354 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -46.92 -37.99 9.83 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.319 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -40.49 -58.02 1.67 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.289 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 171.6 72.24 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 109.326 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' MET . . . . . 0.4 ' HG2' HG23 ' A' ' 74' ' ' ILE . 0.0 OUTLIER -45.04 -28.44 0.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 -179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ILE . . . . . 0.595 HD13 ' H ' ' A' ' 74' ' ' ILE . 0.2 OUTLIER -81.97 132.27 31.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.426 1.079 . . . . 0.0 109.292 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -145.96 72.81 1.31 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.461 1.101 . . . . 0.0 110.312 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' THR . . . . . . . . . . . . . 9.8 m -44.07 125.28 4.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.504 1.127 . . . . 0.0 110.422 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 149.49 42.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.508 1.13 . . . . 0.0 109.343 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 162.58 37.0 Favored 'Trans proline' 0 C--N 1.359 1.089 0 O-C-N 124.514 1.797 . . . . 0.0 111.062 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 3.9 m -67.38 172.18 5.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.371 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLY . . . . . . . . . . . . . . . -159.29 65.73 0.28 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 110.955 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.52 HG22 ' H ' ' A' ' 82' ' ' GLN . 17.8 m -61.5 175.04 0.64 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.454 0.738 . . . . 0.0 110.379 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.52 ' H ' HG22 ' A' ' 81' ' ' THR . 1.8 tt0 -131.99 164.1 26.92 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 0.0 110.355 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -119.79 156.1 31.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 0.0 110.256 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -139.51 167.9 21.04 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.479 1.112 . . . . 0.0 110.041 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.1 m -99.77 163.69 12.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 0.0 110.417 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 13.2 m-20 -133.42 -173.68 3.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' THR . . . . . 0.57 ' O ' ' HB2' ' A' ' 88' ' ' ALA . 44.1 p -128.33 -176.04 3.69 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.497 1.123 . . . . 0.0 110.414 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.57 ' HB2' ' O ' ' A' ' 87' ' ' THR . . . 171.15 90.36 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 109.328 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.0 124.89 47.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.334 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' THR . . . . . . . . . . . . . 62.7 m -107.83 152.77 23.95 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.524 HD12 ' N ' ' A' ' 92' ' ' THR . 0.8 OUTLIER -103.48 130.4 50.84 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.475 1.109 . . . . 0.0 109.321 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' THR . . . . . 0.524 ' N ' HD12 ' A' ' 91' ' ' LEU . 45.8 p -51.89 157.5 1.22 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.545 1.153 . . . . 0.0 110.43 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.486 1.117 . . . . 0.0 110.988 -179.969 . . . . . . . . 0 0 . 1 stop_ save_