data_1wwq_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 1wwq _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.463 HG22 ' CD1' ' A' ' 14' ' ' LEU . 12.6 mt -125.97 132.8 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -119.2 125.13 48.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.607 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -129.79 163.22 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.97 130.52 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 18' ' ' THR . 40.5 tp60 -131.97 95.62 21.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 39.5 p -116.33 -145.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -27.91 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -58.63 152.21 47.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.89 8.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.49 99.44 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.01 -28.65 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -87.66 131.33 34.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -141.5 152.21 43.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.607 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 5.7 m-85 -115.04 154.92 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -131.51 177.45 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -137.32 141.04 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 95.6 m-85 -143.55 176.34 9.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.12 -52.47 3.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -100.3 163.86 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG11 ' CE ' ' A' ' 36' ' ' MET . 3.2 t -70.45 -47.74 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -48.2 -54.25 14.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 56.6 mm-40 -49.53 -54.3 18.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 3.3 t -42.81 -57.73 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.476 ' CE ' HG11 ' A' ' 32' ' ' VAL . 2.0 mpp? -56.65 -37.74 71.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.89 -45.83 10.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.94 -28.56 58.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' MET . 47.5 t -74.01 -66.17 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -41.8 -49.84 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.6 mmtp -41.43 -53.03 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' LYS . 40.8 mtm -35.44 -48.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE2' HD22 ' A' ' 47' ' ' LEU . 9.6 t80 -74.06 -53.28 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.4 mt-10 -43.02 -62.78 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -40.38 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 6.7 t60 -69.53 -20.92 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.712 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.3 mp -86.66 -45.25 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.01 -64.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -45.29 -42.51 9.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 39.2 mtp -73.13 -34.74 66.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.3 m-80 -122.56 100.59 41.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' PRO . 34.7 m-80 -56.03 -35.24 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -38.5 98.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.96 -42.04 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.6 m -122.35 -0.25 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.14 167.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.456 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.43 133.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.712 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 27.8 p90 -173.08 177.29 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.69 130.75 41.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 1.4 tt -63.66 -24.82 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 -36.52 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -65.1 -21.25 66.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.56 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -75.41 -38.05 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.7 m-30 -71.07 -16.46 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 -17.77 56.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.62 -19.85 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.466 ' CG2' ' HD3' ' A' ' 95' ' ' LYS . 11.0 mt -71.11 -31.52 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.2 -48.43 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -44.04 -40.01 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 74' ' ' LEU . 11.8 mt -54.15 172.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -81.64 -42.31 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 177.64 120.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 71' ' ' LEU . 1.5 tp -98.64 135.91 39.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -138.76 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.438 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 7.9 p -155.52 151.15 27.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.42 119.43 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.3 t -107.29 123.87 62.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -90.42 118.98 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 3.0 ptt180 -108.09 104.82 14.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.16 -26.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 10.2 t0 -40.74 -57.2 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -125.9 13.72 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 44.02 60.58 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -140.46 159.47 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 25.6 p90 -105.51 124.35 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 mm100 -102.4 117.29 61.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 108.93 2.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 20.9 m-30 -98.01 179.55 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -98.89 176.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 4.7 ptpt -66.19 -41.26 90.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -47.63 30.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.513 ' CE2' ' HE3' ' A' ' 97' ' ' LYS . 11.0 t90 -56.5 -33.35 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 91' ' ' LYS . 9.2 mt -78.83 -42.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.466 ' HD3' ' CG2' ' A' ' 68' ' ' ILE . 32.7 mtmt -61.27 -15.22 32.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.72 -53.67 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.513 ' HE3' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -54.82 -55.06 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 36' ' ' MET . 18.9 tt -42.62 -58.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 2.7 t80 -48.91 -48.15 42.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.9 t -67.75 -30.87 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -63.07 -28.58 70.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.89 -57.91 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -67.2 -42.12 84.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.6 mt -128.34 128.79 68.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -118.93 124.06 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.24 -176.08 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.73 142.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' ALA . 33.6 tp60 -141.25 96.03 7.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.4 Cg_endo -75.04 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.5 p -115.31 -142.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -129.07 30.9 4.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -113.59 149.8 42.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.87 19.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 56.39 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 169.07 -31.0 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLY . 7.2 t -127.7 162.37 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 2.2 m-85 -144.35 159.12 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -122.71 168.48 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -137.23 117.29 13.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 78.4 m-85 -125.9 -178.29 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.78 -29.52 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.58 169.77 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.33 -48.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.2 p-10 -52.48 -35.41 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.6 -43.79 97.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 9.3 m -61.29 -45.41 94.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.6 mmt -50.96 -54.46 24.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.0 tt0 -37.49 -57.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.75 -46.17 4.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.34 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 6.0 t -49.55 -47.78 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.0 mmtp -42.67 -52.49 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LYS . 35.8 mtm -35.84 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 2.8 t80 -75.6 -54.21 7.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.3 mt-10 -41.47 -61.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.34 -33.35 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' TYR . 10.7 t60 -78.33 -23.22 47.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.623 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.706 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -84.69 -45.99 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -37.47 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -41.31 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 46.1 mtp -72.55 -33.43 66.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.2 m-80 -126.17 102.45 27.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -52.33 -36.73 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -41.47 100.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.8 t -120.63 0.1 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.68 167.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -177.43 133.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.706 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 23.8 p90 -170.2 -177.94 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.5 125.96 30.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.591 HD12 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -56.15 -30.42 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -31.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -71.08 -22.91 62.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -79.41 -39.12 33.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.48 ' CE1' HG21 ' A' ' 98' ' ' ILE . 14.7 m-30 -69.89 -19.37 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -23.49 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -28.42 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.48 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 17.1 mt -58.64 -46.93 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.19 -44.75 83.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -42.03 -45.77 3.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.4 mt -47.69 157.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -67.07 -32.15 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 t0 163.29 111.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.88 143.16 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -142.85 179.47 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.7 p -153.63 157.67 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.0 110.14 15.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.3 t -97.87 133.46 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.81 137.91 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -131.1 91.89 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.92 -23.74 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -51.97 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.5 p -121.03 -5.07 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 60.66 73.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -161.81 163.57 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 25.6 p90 -106.62 123.74 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.9 mm100 -99.71 117.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.47 2.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 13.8 m-30 -99.92 179.94 4.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -108.29 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' CG2' ' A' ' 68' ' ' ILE . 0.1 OUTLIER -67.13 -33.52 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -53.54 -33.0 53.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.638 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 35.3 t90 -76.4 -29.22 57.02 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 21.1 mt -76.53 -51.3 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 46.3 mtmt -47.45 -24.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 94' ' ' ILE . 6.3 mm-40 -79.09 -47.11 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.638 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -65.67 -64.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.492 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 3.4 tt -38.56 -45.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CD2' HD12 ' A' ' 61' ' ' ILE . 3.0 t80 -60.02 -54.96 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.499 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 21.6 t -62.36 -27.21 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -64.16 -30.79 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.0 -27.96 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.6 mmm180 -58.49 -57.07 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 6.0 ptm180 -68.74 -47.69 65.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.429 HG22 ' CB ' ' A' ' 35' ' ' CYS . 22.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.478 HG23 ' CD1' ' A' ' 14' ' ' LEU . 72.6 mt -104.85 136.2 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -130.84 123.95 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -129.32 179.79 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -150.14 126.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 18' ' ' THR . 34.4 tp60 -128.99 94.41 34.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 70.9 p -117.71 -140.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.43 30.51 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.81 150.86 41.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.69 76.79 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.23 43.28 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 102.93 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.3 t -128.85 177.25 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 3.7 m-85 -139.43 179.91 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.83 172.03 14.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.45 126.21 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -126.94 -178.57 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.73 -39.22 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 -176.96 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.24 -50.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 101' ' ' LEU . 1.2 p30 -48.52 -52.59 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 8.9 mm-40 -46.31 -47.03 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.429 ' CB ' HG22 ' A' ' 11' ' ' THR . 4.0 t -57.48 -46.95 83.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.44 ' SD ' ' CG2' ' A' ' 94' ' ' ILE . 13.9 mmt -55.81 -48.82 74.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.2 mt-10 -37.84 -65.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.7 -52.66 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.436 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 70.6 t -54.57 -48.76 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.7 t -64.61 -37.53 87.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.8 mmtp -60.64 -53.04 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -36.26 -67.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 49.6 t80 -52.88 -49.29 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.27 -42.73 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.2 -53.51 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.49 -18.1 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.714 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -86.66 -49.76 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 22.3 mttt -45.19 -52.51 9.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.14 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.58 -39.12 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 1.9 m-80 -112.97 96.14 37.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.797 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -65.14 -32.99 74.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -39.41 107.18 0.43 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -125.28 0.65 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER 68.29 168.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.418 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.99 136.35 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.714 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -171.38 -177.83 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.04 126.22 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -34.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -62.08 -33.02 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.11 -46.21 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -52.7 -46.0 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CG ' ' HD2' ' A' ' 95' ' ' LYS . 17.3 m-30 -65.94 -30.01 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -52.01 -22.99 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -22.28 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 19.8 mt -63.92 -56.96 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.49 -45.66 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -41.38 -45.49 3.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -49.19 165.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.44 -29.08 52.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 165.05 108.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.39 131.61 46.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 178.62 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.43 ' SG ' ' CD1' ' A' ' 94' ' ' ILE . 19.6 p -158.44 161.92 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.258 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.6 mm? -129.28 130.82 46.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.548 HG21 ' CH2' ' A' ' 93' ' ' TRP . 33.7 t -110.77 131.07 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.82 127.33 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.433 ' CD ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -125.85 87.58 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.0 -28.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -49.77 -43.29 48.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.433 ' OG1' ' CD ' ' A' ' 80' ' ' ARG . 41.0 p -117.48 -8.14 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 55.18 65.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 t -160.51 170.28 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -115.11 129.12 56.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 8.3 mm100 -97.55 111.47 58.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.0 108.1 2.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 98.4 m-85 -106.92 156.53 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -91.34 168.46 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HD3' ' CG2' ' A' ' 68' ' ' ILE . 0.5 OUTLIER -55.49 -37.58 68.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -46.72 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.588 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 51.9 t90 -53.83 -54.38 39.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.047 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 3.4 mt -57.39 -54.97 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 26.1 mtmt -34.95 -35.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' ILE . 4.4 mm-40 -76.64 -55.95 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -52.88 -53.91 42.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -52.7 -44.13 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 18.9 t80 -65.7 -60.68 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 96' ' ' GLU . 61.3 t -57.29 -24.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.485 ' CD1' ' CB ' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.93 -35.87 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.8 -33.86 27.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -56.91 -46.12 82.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 13.0 ptm180 -74.62 -48.51 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.7 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.401 HG21 ' SG ' ' A' ' 35' ' ' CYS . 37.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mt -130.74 131.28 64.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 1.5 tm? -126.22 123.77 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -125.69 -179.57 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.27 141.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' ALA . 33.3 tp60 -144.76 95.25 5.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 6.3 p -107.34 -143.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -37.81 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -54.51 155.99 6.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -8.65 20.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.77 105.55 17.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 28.41 2.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.05 144.81 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 t -163.29 169.13 19.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -129.62 171.3 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.43 176.78 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -157.32 135.65 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 6.2 m-85 -134.84 179.89 6.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -82.05 -36.81 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -178.19 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.74 -53.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 3.3 p-10 -47.62 -41.6 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.6 mm-40 -55.85 -47.12 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -55.37 -33.36 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 97' ' ' LYS . 2.5 mpp? -74.41 -29.18 61.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.11 -47.0 65.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -40.18 66.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -56.28 -68.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -43.0 -52.36 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.6 mmtp -41.1 -55.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' LYS . 31.2 mtm -35.71 -44.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 26.5 t80 -79.81 -52.94 7.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.2 mm-40 -47.63 -55.34 9.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -50.3 -30.36 11.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 22.9 t60 -81.29 -25.66 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.581 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -79.06 -47.99 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.36 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -40.34 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 8.7 mmm -72.8 -34.98 67.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.7 m-80 -129.45 102.22 18.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -46.45 -31.75 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 9.9 p -43.7 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.81 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.3 t -124.48 -0.99 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 66.25 167.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.466 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -179.91 134.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.711 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 24.1 p90 -170.81 -174.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.54 124.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -21.98 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 m -75.84 -16.6 60.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 tp60 -90.76 -34.4 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -63.52 -43.41 97.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ILE . 19.2 m-30 -66.55 -31.32 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -47.15 -26.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.402 ' N ' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -85.64 -33.64 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' PHE . 14.9 mt -56.52 -41.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -43.66 98.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -45.15 -47.86 12.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.1 mt -44.07 160.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' PRO . . . -73.6 -41.62 62.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.4 t70 177.32 105.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.5 tp -97.71 142.15 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.0 m -143.84 178.74 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.615 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 22.5 p -157.22 153.89 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.17 127.02 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.16 125.36 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -88.11 129.74 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.43 109.62 13.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -18.45 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -55.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.3 p -111.61 -11.04 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 63.0 59.56 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 t -149.11 -175.02 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 19.6 p90 -118.56 122.46 42.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.94 110.13 52.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.72 2.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -101.93 162.74 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -85.39 172.8 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 6.1 ptmt -64.14 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 3.0 t70 -57.16 -38.03 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.618 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 18.4 t90 -64.74 -22.63 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' A' ' 91' ' ' LYS . 11.0 mt -88.1 -39.88 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -58.74 -15.75 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 33.6 mm-40 -90.69 -59.59 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -49.09 -55.63 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.449 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 17.9 tt -41.92 -58.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 10.0 t80 -52.99 -55.14 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.12 -27.51 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -70.0 -31.66 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -82.91 -24.5 33.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.414 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.9 mmm180 -64.08 -58.32 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -40.6 88.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -104.86 129.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ALA . 2.5 tm? -121.34 126.29 49.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.648 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.22 179.74 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 t -152.27 120.56 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 18' ' ' THR . 11.7 tp60 -121.91 95.28 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 64.4 p -126.1 -139.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -117.16 -37.8 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -47.91 149.02 2.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.86 21.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 97.64 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.47 -42.7 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.72 117.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -144.41 137.66 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.648 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 6.3 m-85 -113.24 174.12 6.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -145.64 175.83 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -142.76 134.3 26.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 89.5 m-85 -138.62 -178.86 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -113.67 -35.26 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.58 144.09 42.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' CE ' ' A' ' 36' ' ' MET . 24.5 t -57.49 -32.45 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.504 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.44 -52.42 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.2 mm-40 -47.43 -36.42 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' MET . 35.5 t -63.53 -67.42 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.468 ' CE ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -36.77 -51.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -61.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.94 -44.94 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.77 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -41.5 -48.96 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' MET . 37.2 mmtt -40.66 -52.09 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' LYS . 45.2 mtm -34.97 -72.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 64' ' ' LEU . 7.3 t80 -50.63 -48.66 57.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.76 -45.56 40.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.64 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -48.94 -23.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.0 mp -82.81 -48.02 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.82 -63.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -42.53 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -115.7 102.62 54.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -57.74 -35.05 70.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.78 100.38 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.42 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.3 m -124.26 0.97 8.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.73 167.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -178.14 133.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.71 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.1 p90 -171.41 -169.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -81.22 123.97 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.572 HG23 ' CD2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -60.62 -28.37 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -26.98 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.01 -14.42 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -81.27 -44.49 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.453 ' CE1' HG22 ' A' ' 98' ' ' ILE . 18.3 m-30 -68.16 -15.79 63.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.66 47.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -19.87 19.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 23.4 mt -65.49 -40.56 88.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.75 -29.06 70.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.72 -26.93 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.29 164.55 13.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -81.43 -40.2 23.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 44.9 t0 177.32 106.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.78 138.55 34.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.21 178.41 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.95 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 1.7 p -153.58 163.28 40.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.7 mm? -127.11 106.97 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.56 HG22 ' CH2' ' A' ' 93' ' ' TRP . 45.4 t -87.54 127.25 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -90.3 127.21 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.67 128.55 54.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.17 -12.26 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.36 -46.57 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.4 p -124.9 1.82 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 50.59 56.05 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 12.8 t -135.66 -153.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.418 ' N ' ' OG1' ' A' ' 85' ' ' THR . 13.5 p90 -129.26 136.53 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -105.44 105.05 50.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 108.14 2.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.737 ' CD1' ' CD2' ' A' ' 93' ' ' TRP . 25.2 m-85 -106.49 153.92 21.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.89 164.76 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -59.26 -42.2 90.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -52.36 -45.83 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.737 ' CD2' ' CD1' ' A' ' 89' ' ' TYR . 74.9 t90 -53.7 -40.08 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.046 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.501 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 6.5 mt -70.45 -52.79 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' ILE . 40.9 mtmt -40.09 -38.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -74.27 -43.88 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -62.99 -62.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.453 HG22 ' CE1' ' A' ' 65' ' ' PHE . 15.4 tt -39.25 -53.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.233 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.572 ' CD2' HG23 ' A' ' 61' ' ' ILE . 3.3 t80 -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.511 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 20.4 t -61.71 -32.86 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.504 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -60.32 -30.2 69.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -83.08 -27.15 30.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.7 mmm180 -59.99 -58.94 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.55 -45.63 78.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.8 mt -96.55 136.97 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -127.47 123.16 35.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -126.77 -172.53 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.4 122.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -125.66 95.9 39.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.5 p -112.65 -143.96 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -129.78 30.95 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -112.99 147.14 36.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.46 20.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.07 79.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.42 -35.89 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.84 138.82 38.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -152.18 158.29 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 4.8 m-85 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -155.52 176.86 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.61 139.24 27.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.0 177.17 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 31' ' ' SER . 8.6 pt-20 -98.73 -38.34 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 41.2 m -119.55 160.18 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.7 t -72.71 -42.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.1 p-10 -55.58 -38.63 69.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -65.83 -37.8 87.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.73 -44.92 96.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 108.255 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.0 mmt -59.3 -46.76 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -37.62 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.72 -59.73 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -45.75 -47.63 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' GLU . 43.4 t -62.5 -39.58 93.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.3 mttm -54.21 -50.6 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 26.3 mtm -34.41 -71.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CD2' ' HA ' ' A' ' 64' ' ' LEU . 15.1 t80 -51.92 -45.52 64.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -46.33 69.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.35 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -52.24 -21.55 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.568 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.642 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 3.6 mp -81.94 -48.69 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -38.33 -62.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -40.93 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.77 -38.96 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -125.46 101.64 30.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -49.05 -34.39 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.43 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 18.7 p -41.58 101.31 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.59 -1.85 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.57 167.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.445 ' N ' HG23 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.29 134.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.642 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.7 p90 -171.04 -178.01 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 127.08 33.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -53.41 -39.29 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -30.19 54.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -76.49 -44.85 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -54.83 -49.2 71.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 68' ' ' ILE . 18.5 m-30 -68.55 -15.68 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 21.2 t0 -58.48 -27.23 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -24.32 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 65' ' ' PHE . 20.7 mt -56.68 -37.23 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.19 -33.59 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.2 mt -57.39 171.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -86.65 -40.55 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 177.19 109.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.03 140.85 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.76 179.2 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.621 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 7.0 p -157.1 160.54 38.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.16 115.45 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 35.2 t -100.22 143.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -98.1 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 84.48 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.07 -27.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.3 -38.67 42.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.0 p -125.02 3.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 43.71 72.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t -167.91 164.82 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 37.3 p90 -109.3 116.7 32.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.86 111.48 53.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.617 ' CD2' ' CE2' ' A' ' 93' ' ' TRP . 18.5 m-85 -100.88 -179.56 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -100.07 -175.54 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.88 -33.31 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.62 -41.41 81.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.635 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 55.1 t90 -64.12 -33.0 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 13.7 mt -75.19 -54.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 43.8 mtmt -43.71 -27.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 7.8 mm-40 -76.14 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.635 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.48 -55.44 10.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.513 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 5.3 tt -50.93 -51.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 7.5 t80 -57.97 -55.23 37.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.87 -24.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.404 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -72.91 -34.13 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -79.24 -29.39 42.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.0 mmm180 -56.18 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.1 ptm180 -67.05 -48.08 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.51 ' CG2' ' SG ' ' A' ' 76' ' ' CYS . 2.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.404 HG21 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -91.39 124.57 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -119.31 123.86 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -124.36 -174.82 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -153.17 138.36 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.619 HE22 ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -132.04 95.64 21.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -42.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 49.2 p -141.34 -63.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . 0.619 ' N ' HE22 ' A' ' 16' ' ' GLN . 1.1 mmtt 164.39 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LYS . 23.8 mmt180 -38.11 144.16 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.13 21.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.55 -13.34 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.63 53.07 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.31 120.8 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -150.07 176.45 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -137.95 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.87 172.93 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.53 126.8 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 93.5 m-85 -124.77 -178.61 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -93.07 -29.05 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.06 171.52 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 2.2 t -75.44 -52.11 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 69.4 m-20 -39.93 -58.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 8.5 mm-40 -40.55 -46.77 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 76.0 m -58.35 -51.04 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.6 mmt -50.19 -32.04 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -60.73 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.93 -38.03 7.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 42' ' ' MET . 49.2 t -62.36 -70.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' LYS . 3.3 t -42.71 -52.42 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' CYS . 8.8 mmtp -34.15 -50.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.0 mtm -36.21 -57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 47' ' ' LEU . 9.5 t80 -67.39 -47.3 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -43.04 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 42' ' ' MET . 2.0 pt-20 -47.59 -45.66 27.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.69 -24.91 64.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -84.78 -46.07 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -37.96 -61.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -41.25 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.89 -41.48 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -116.87 104.38 51.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' PRO . 10.7 p30 -55.17 -36.46 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -38.98 99.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.98 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -120.24 0.13 10.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.07 167.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.456 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.97 132.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.8 p90 -166.81 170.62 12.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 6.3 m-20 -79.69 139.52 37.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -60.18 -25.35 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -16.38 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 21.7 mm-40 -86.45 -19.72 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -80.64 -39.2 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 23.2 m-30 -71.78 -8.96 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.69 -21.09 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -96.44 -32.62 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 95' ' ' LYS . 24.7 mt -54.0 -25.73 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -77.22 -23.33 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' PHE . 8.8 t0 -75.16 -34.34 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.33 163.09 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.34 -38.57 50.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 164.81 112.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.5 tp -103.12 145.17 30.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.1 m -148.83 178.76 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 15.9 t -154.22 156.16 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -119.0 136.96 53.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.94 123.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.3 128.62 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 ptp85 -125.95 101.68 6.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.19 -26.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -43.89 -55.36 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -117.57 -8.63 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 61.11 59.38 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.51 163.42 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 44.2 p90 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' ' 89' ' ' TYR . 6.8 tm0? -83.06 112.81 41.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 86' ' ' TYR . 18.4 Cg_endo -74.91 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.562 1.822 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CD1' ' CG ' ' A' ' 93' ' ' TRP . 32.7 m-85 -118.59 129.53 55.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.77 157.77 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' LEU . 7.3 pttp -44.58 -42.03 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -54.22 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.716 ' CG ' ' CD1' ' A' ' 89' ' ' TYR . 83.0 t90 -50.1 -47.66 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 97' ' ' LYS . 3.5 mp -62.73 -53.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.594 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 12.1 mtpt -41.32 -33.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 97' ' ' LYS . 51.8 mm-40 -72.6 -45.3 59.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -64.11 -63.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 11.7 tt -40.88 -49.27 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.583 ' CE2' HG21 ' A' ' 61' ' ' ILE . 2.4 t80 -54.17 -47.97 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.9 t -71.17 -29.73 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -59.65 -38.16 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.32 -37.84 60.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -63.58 -44.98 92.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -75.99 -33.6 59.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' A' ' 14' ' ' LEU . 16.0 mt -99.47 123.45 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -119.05 123.65 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.619 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.51 178.12 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.453 ' CG2' ' SD ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -147.67 126.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.01 88.52 54.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 3.5 p -138.48 172.05 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -79.71 52.39 1.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -121.26 122.77 28.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 20' ' ' ARG . 3.3 mt-10 -102.68 68.34 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.65 -39.44 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.0 131.37 31.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -151.01 147.95 27.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 7.9 m-85 -111.21 178.2 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.23 176.43 12.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.54 134.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -131.54 173.96 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.79 -48.05 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.6 m -105.0 165.72 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.43 -38.85 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.2 p-10 -54.5 -30.77 54.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.81 -48.92 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -46.26 -44.78 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' VAL . 13.0 mmt -60.0 -49.21 78.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -38.85 -63.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.82 -38.91 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.418 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 47.7 t -71.75 -45.96 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' GLU . 38.0 t -63.85 -35.12 79.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' MET . 9.6 mmtp -61.63 -53.64 53.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.453 ' SD ' ' CG2' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -35.24 -67.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CE2' HD22 ' A' ' 47' ' ' LEU . 59.1 t80 -53.73 -53.25 54.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.67 -46.54 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 47' ' ' LEU . 5.5 mm-40 -48.69 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -46.96 -24.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -83.65 -48.56 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -39.16 -59.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -40.03 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -71.77 -42.28 67.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.32 103.71 54.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' PRO . 29.9 m-80 -55.46 -36.2 66.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -38.53 98.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.96 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -123.82 0.85 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.56 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.459 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -174.45 132.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.2 p90 -169.54 -176.74 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.92 120.26 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -50.87 -31.06 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.6 p -66.36 -34.56 78.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.6 tp60 -70.95 -49.65 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.536 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -45.24 -44.61 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 68' ' ' ILE . 13.8 m-30 -66.34 -31.29 71.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLN . 3.1 t0 -51.54 -23.65 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -93.43 -22.85 18.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 ' CG2' ' HD3' ' A' ' 95' ' ' LYS . 39.6 mt -67.98 -44.12 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.86 -31.49 72.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.5 -33.89 71.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt -57.34 162.1 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -70.51 -44.3 67.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.3 t0 178.08 108.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.432 ' CD1' HG22 ' A' ' 15' ' ' VAL . 4.4 tp -100.24 139.5 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.96 179.16 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.511 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 1.8 p -157.28 164.07 38.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.1 mm? -126.94 126.95 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.444 HG23 ' CH2' ' A' ' 93' ' ' TRP . 13.4 t -111.52 141.55 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -91.79 143.98 25.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLN . 10.9 ptm180 -142.09 109.93 5.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.87 -14.82 37.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -53.68 -49.15 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.2 p -126.05 1.4 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mm-40 52.83 69.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 9.6 t -154.42 -171.23 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.425 ' N ' ' OG1' ' A' ' 85' ' ' THR . 22.0 p90 -116.81 130.66 56.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.59 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 6.9 mm100 -100.33 108.76 54.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 54.5 m-85 -106.46 131.88 53.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -178.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -72.53 -38.04 68.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.56 -40.66 60.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.596 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 70.1 t90 -62.67 -47.04 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.069 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.511 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 7.8 mt -60.11 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.459 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 37.2 mtmt -54.48 -19.04 4.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -91.54 -19.96 22.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -95.19 -55.19 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -49.0 -42.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.628 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -64.3 -64.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.628 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.5 p -55.65 -24.1 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -63.6 -39.26 93.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.9 -25.97 40.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.435 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 23.0 mmm180 -62.99 -53.39 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.3 ptm85 -69.31 -43.44 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.5 mt-30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 35' ' ' CYS . 18.3 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 14' ' ' LEU . 18.7 mt -102.47 125.09 56.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -120.27 125.01 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -129.68 178.38 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.68 131.46 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 18' ' ' THR . 41.2 tp60 -133.2 96.02 17.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 37.4 p -110.94 -150.81 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 -31.22 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -57.76 152.77 35.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.58 18.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.95 -17.09 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.21 62.1 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -117.85 75.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -116.8 141.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.3 m-85 -137.79 168.02 20.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.47 175.73 9.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.67 123.4 14.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.9 177.94 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.94 -38.26 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.79 169.61 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.476 HG11 ' CE ' ' A' ' 36' ' ' MET . 5.5 t -86.42 -52.32 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.475 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.0 p-10 -48.42 -34.46 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 11' ' ' THR . 7.7 t -53.09 -45.0 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE1' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -62.25 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.84 -55.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.16 -41.82 31.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' MET . 78.4 t -64.31 -70.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -38.45 -52.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' CYS . 10.7 mmtp -36.77 -49.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 23.3 mtm -34.18 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 64' ' ' LEU . 7.8 t80 -56.98 -50.59 72.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -36.98 -68.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.9 mm-40 -40.05 -67.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 2.7 t60 -41.02 -32.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.8 mp -81.54 -46.96 13.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -37.41 -62.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -41.87 47.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -69.32 -36.83 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -122.54 103.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' PRO . 11.8 p30 -50.37 -36.36 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.16 98.52 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -75.06 -40.92 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.8 m -122.08 -0.06 9.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.25 168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -170.32 131.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 19.3 p90 -169.15 -179.32 3.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 80.3 m-20 -85.6 122.42 29.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -49.99 -29.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -30.47 56.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 33.0 mm-40 -70.99 -25.89 62.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -74.93 -41.44 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 19.6 m-85 -70.73 -13.02 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.31 -20.98 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.78 -35.76 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 95' ' ' LYS . 23.5 mt -57.39 -20.11 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.53 -28.67 52.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -68.79 -36.09 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.1 mt -46.11 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -89.09 -42.46 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 t0 177.22 106.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 7.4 tp -101.25 135.94 41.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -138.94 176.47 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.508 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 1.8 p -150.91 154.81 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -121.46 118.08 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -105.16 129.09 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.77 126.17 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLN . 8.7 ptm180 -123.88 112.54 17.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.18 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -51.92 64.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.7 p -119.87 -4.89 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.4 mm-40 58.91 66.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -157.29 164.39 37.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 29.4 p90 -106.56 118.35 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -91.6 112.45 54.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 118.93 5.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.1 m-30 -117.06 149.2 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.79 -171.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -79.2 -17.56 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -48.01 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.625 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 29.5 t90 -60.16 -35.76 76.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.508 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 15.6 mt -70.06 -55.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 4.1 mtpp -50.65 -22.47 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.63 -44.98 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.625 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -68.9 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.523 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 11.7 tt -38.57 -48.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 2.3 t80 -55.78 -49.23 73.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' LYS . 17.6 t -68.05 -27.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -64.71 -31.77 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.411 ' N ' HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -79.01 -33.57 44.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.425 ' HA ' ' NH1' ' A' ' 103' ' ' ARG . 4.9 mmm180 -53.36 -56.84 13.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.1 ptm180 -69.05 -50.0 52.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.458 HG23 ' CB ' ' A' ' 35' ' ' CYS . 38.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.447 HG23 ' CD1' ' A' ' 14' ' ' LEU . 11.0 mt -122.79 126.1 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.25 123.49 42.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -130.92 176.64 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.33 140.99 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -146.14 93.55 5.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.01 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 67.1 p -110.3 -143.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.52 -39.42 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -44.55 152.2 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.25 21.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.46 99.53 4.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 131.31 -38.16 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -41.64 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.0 t -121.24 153.08 38.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.2 m-85 -135.26 169.91 16.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.46 177.14 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.57 134.15 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -123.74 169.79 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -50.02 10.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.8 p -118.16 177.81 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 HG12 ' CE ' ' A' ' 36' ' ' MET . 1.5 t -77.32 -49.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 61.0 m-20 -41.15 -48.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.47 -38.73 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.458 ' CB ' HG23 ' A' ' 11' ' ' THR . 49.2 t -52.04 -57.02 10.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.303 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.496 ' HE1' ' CH2' ' A' ' 93' ' ' TRP . 1.5 mpp? -64.47 -48.5 74.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' MET . 3.5 tt0 -37.41 -53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -42.61 -43.69 5.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' MET . 74.4 t -61.97 -52.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.6 t -45.38 -35.86 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -57.11 -52.23 66.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' LYS . 28.2 mtm -34.09 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 14.6 t80 -48.27 -53.97 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.26 -42.8 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.59 -65.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -50.05 -22.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.6 mp -83.67 -48.12 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.83 -62.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -42.44 38.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -69.37 -40.73 77.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.96 102.65 52.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.8 -35.46 70.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -40.98 100.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -122.95 0.77 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.58 167.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -175.53 133.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.65 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.6 p90 -170.99 -174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLN . 4.2 m-20 -83.17 121.41 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -43.85 -35.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -44.76 83.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.52 ' O ' ' CZ ' ' A' ' 43' ' ' TYR . 3.2 tp60 -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -65.63 -42.53 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 17.6 m-30 -68.67 -23.94 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.55 -23.85 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -29.98 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.1 mt -60.91 -28.04 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -50.18 40.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.52 -44.22 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.5 mt -45.58 157.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 17' ' ' PRO . . . -78.67 -34.6 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 169.13 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.414 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 4.2 tp -99.24 140.4 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 38.2 m -146.82 177.34 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.443 ' SG ' ' CZ3' ' A' ' 93' ' ' TRP . 21.8 p -158.46 160.61 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.269 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -120.99 131.0 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.0 t -120.4 124.01 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.44 136.72 40.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.414 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -137.49 85.27 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.75 -33.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.36 -46.25 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.7 p -114.21 -16.19 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.64 55.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 t -154.46 -174.43 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 27.5 p90 -120.4 124.32 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.44 ' NE2' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -94.74 111.37 54.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.09 2.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 19.2 m-85 -99.0 134.95 41.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.09 165.87 24.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.23 -31.24 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.71 -45.69 91.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 6.9 t90 -66.81 -33.6 75.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 19.9 mt -70.1 -55.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.59 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 7.4 mtpt -42.52 -28.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 2.0 mm-40 -75.29 -62.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.31 -55.93 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.519 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 4.9 tt -50.7 -44.38 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.41 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.622 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.3 p -58.33 -21.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.0 OUTLIER -67.09 -44.19 80.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.23 -34.52 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -62.0 -50.37 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.6 ptm180 -71.52 -41.23 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' CYS . 78.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.432 HG22 ' CD1' ' A' ' 14' ' ' LEU . 35.6 mt -111.37 125.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.63 124.23 44.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.22 -177.88 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 t -151.17 119.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -118.31 88.83 34.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.3 Cg_endo -75.04 -37.76 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 p -148.0 164.53 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -32.06 68.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -56.41 153.69 19.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.27 21.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -27.57 2.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.51 59.37 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -117.84 61.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.7 t -117.39 154.94 30.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.7 m-85 -140.15 177.95 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.15 176.9 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -144.5 133.04 22.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 96.7 m-85 -134.41 179.82 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.94 -28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 147.46 44.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.36 -51.39 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -44.62 -46.76 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 79.8 mm-40 -54.92 -51.37 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 11' ' ' THR . 11.0 t -45.99 -51.36 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.8 mmt -50.6 -48.66 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -38.72 -60.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.65 -42.19 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.446 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 62.4 t -65.1 -51.45 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -62.43 -40.45 96.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 19.3 mmmt -51.43 -56.53 12.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -35.84 -67.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 18.6 t80 -57.02 -42.19 79.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.4 mt-10 -53.43 -40.98 65.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -55.3 -52.06 64.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -67.03 -11.5 57.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.54 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 2.9 mp -83.74 -43.78 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.2 mmtp -34.53 -70.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -41.45 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 26.0 mmm -68.27 -34.06 75.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 m-80 -142.1 98.98 6.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.98 -67.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.6 p30 -42.54 -28.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 43.3 p -36.82 98.98 0.17 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.99 -44.74 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.4 t -122.78 -2.07 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.49 167.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.465 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.33 133.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.434 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 30.9 p90 -178.12 158.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.11 162.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -90.48 -43.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -15.11 24.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -83.07 -29.21 28.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -87.79 -31.8 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 61' ' ' ILE . 13.8 m-30 -72.76 -23.5 60.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -20.64 66.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.79 -26.38 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mt -59.81 -53.9 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.32 -35.71 67.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.15 -36.93 43.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 mt -56.84 177.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -84.08 -44.05 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.7 t70 179.95 105.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.96 136.1 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -145.83 179.27 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.506 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 2.4 p -153.21 162.21 41.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -123.18 126.82 47.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 89' ' ' TYR . 17.1 t -105.52 127.32 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -91.48 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -98.71 91.21 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 30.4 m-20 -45.21 -46.88 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -126.14 8.37 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 44.02 73.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -154.15 -177.22 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.433 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 22.4 p90 -123.22 126.3 46.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.583 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -101.1 111.59 63.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 82.3 m-85 -106.85 137.77 44.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -64.37 179.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -72.0 -38.65 69.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -45.02 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 77.4 t90 -55.72 -39.94 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.506 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 7.8 mt -71.25 -54.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 37.1 mtmt -41.69 -29.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 94' ' ' ILE . 9.3 mm-40 -81.55 -44.38 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -65.56 -57.6 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 3.0 tt -44.32 -45.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.1 t80 -59.49 -51.08 71.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.0 t -65.99 -30.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -57.57 -36.08 71.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -78.51 -35.83 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -56.73 -49.17 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.9 ptm180 -73.91 -47.05 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.3 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 12' ' ' ILE . 1.9 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 14' ' ' LEU . 56.7 mt -121.08 124.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.04 122.04 41.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -124.25 172.1 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -141.88 120.66 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' ALA . 36.9 tp60 -123.04 96.34 44.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.521 1.8 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 73.2 p -116.9 -139.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -35.89 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -42.59 154.37 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.85 13.43 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.43 -34.81 59.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.9 -23.71 51.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -131.26 157.2 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.5 m-85 -142.83 162.71 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.08 174.85 9.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.56 118.3 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -119.39 -177.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -84.27 -59.08 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 33' ' ' ASN . 3.3 m -117.04 176.76 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' CYS . 1.3 t -66.62 -52.9 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.515 ' CB ' ' CD1' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -39.89 -49.31 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.27 -44.8 75.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' VAL . 18.1 m -59.61 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.9 mmt -51.76 -59.0 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' OE1' ' CE ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -37.14 -61.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -37.53 -51.92 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.468 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 57.4 t -48.62 -45.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.484 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 1.0 OUTLIER -74.22 -42.03 60.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CE ' ' OE1' ' A' ' 37' ' ' GLU . 8.2 mmtt -52.72 -36.16 57.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -57.54 -66.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 47' ' ' LEU . 24.8 t80 -43.17 -51.87 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' TYR . 4.9 mt-10 -37.41 -50.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -48.8 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -49.16 -23.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -83.1 -48.14 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -38.22 -60.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -40.51 59.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.55 -41.45 72.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.97 100.43 52.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.29 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -58.67 -35.22 72.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -43.11 101.93 0.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -118.91 -0.55 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER 67.81 167.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -176.11 136.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 6.9 p90 -170.13 -171.19 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 142.22 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -56.34 -40.48 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -71.85 -27.79 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -72.72 -19.51 61.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -83.95 -44.15 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 95' ' ' LYS . 16.4 m-30 -65.67 -10.36 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.65 -25.79 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.4 -10.66 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mt -78.08 -43.22 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.76 -18.21 61.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -40.96 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.4 mt -47.28 157.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -68.66 -33.36 73.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 174.06 110.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 15' ' ' VAL . 3.4 tp -105.29 129.07 53.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.4 ' CA ' HD11 ' A' ' 94' ' ' ILE . 68.8 m -136.83 178.58 6.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -156.35 147.61 22.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.3 mm? -117.03 131.16 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.464 HG21 ' CG2' ' A' ' 32' ' ' VAL . 73.2 t -118.68 123.43 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.44 112.82 20.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 80' ' ' ARG . 5.6 ptp180 -113.5 115.95 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.71 -20.03 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.35 -47.64 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.3 p -118.88 -7.34 10.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.3 mm-40 59.43 64.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -164.38 161.0 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 41.0 p90 -105.24 113.75 27.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.48 113.4 41.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.99 107.94 2.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.776 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 26.4 m-85 -97.62 160.38 14.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.61 172.14 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -26.57 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -73.89 -15.24 61.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.776 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 19.9 t90 -93.75 -21.71 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.4 HD12 ' CD2' ' A' ' 74' ' ' LEU . 44.4 mt -83.7 -53.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 10.9 ptpt -53.83 -19.6 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 92' ' ' ASP . 31.8 mm-40 -80.84 -46.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.561 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -64.87 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 13.4 tt -39.16 -55.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 1.8 t80 -48.56 -46.59 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.475 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 16.7 t -70.24 -36.22 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -54.43 -29.1 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -82.79 -31.97 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.475 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 6.2 mmm180 -57.54 -55.15 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -69.55 -48.34 60.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 14' ' ' LEU . 22.9 mt -112.07 128.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.3 tm? -119.45 123.81 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -131.29 -177.75 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 t -152.72 140.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 18' ' ' THR . 38.7 tp60 -141.03 95.38 7.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.96 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 37.5 p -113.88 -149.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -33.83 6.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -64.05 153.7 84.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 98.13 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.81 33.45 1.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -135.96 152.37 50.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -169.94 161.51 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 7.6 m-85 -119.49 173.0 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.24 174.45 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.66 120.73 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -115.27 173.17 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -77.14 -35.58 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.4 156.55 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.409 ' CG2' ' OG1' ' A' ' 11' ' ' THR . 6.3 t -67.05 -46.59 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -50.08 -43.34 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.8 mm-40 -53.25 -43.15 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.3 m -55.29 -56.13 23.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -45.27 -50.88 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.98 -49.51 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.33 -27.27 46.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 42' ' ' MET . 48.1 t -76.69 -70.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' VAL . 43.2 t -40.52 -49.96 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.2 mmtp -39.04 -50.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 49.3 mtm -34.4 -71.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -50.52 -53.63 28.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.29 -43.36 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -48.14 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . 0.404 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 8.1 t60 -67.62 -19.98 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.609 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.72 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.0 mp -86.12 -51.43 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 21.9 mttt -40.04 -57.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -48.86 -39.37 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 mmm -79.38 -36.77 38.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -123.69 97.14 42.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.2 p30 -41.56 -29.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 27.0 p -37.53 102.66 0.24 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -121.07 -3.75 9.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 62.13 166.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.47 ' N ' HG21 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.6 133.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.72 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 3.1 p90 -160.46 -52.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 1.7 m-20 156.69 162.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -91.02 -39.77 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -49.27 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.24 -39.24 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.406 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -64.64 -49.63 70.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.6 m-30 -54.47 -22.75 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -57.34 -28.16 62.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.21 -30.33 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.8 mt -58.36 -35.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -48.02 68.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -42.99 -41.24 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 mt -53.34 171.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -79.8 -46.16 17.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.2 t70 178.19 120.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 91' ' ' LYS . 1.1 tp -98.04 142.38 29.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -145.29 177.12 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.595 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.5 p -158.25 163.97 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -123.13 116.49 23.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.1 t -106.08 127.21 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.402 ' CZ ' ' HB1' ' A' ' 81' ' ' ALA . 14.3 t80 -80.51 144.42 32.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CZ ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -142.78 81.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HB1' ' CZ ' ' A' ' 79' ' ' TYR . . . -44.45 -29.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -42.41 -43.2 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.5 ' OG1' ' CZ ' ' A' ' 80' ' ' ARG . 80.8 p -125.22 0.57 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 52.08 74.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -165.32 175.37 9.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 26.2 p90 -118.6 116.43 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.515 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -92.14 113.68 59.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 16.0 m-30 -100.34 178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.15 -169.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -82.81 -33.72 27.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.13 -34.43 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.602 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 56.8 t90 -70.89 -31.36 67.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.503 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 10.8 mt -77.87 -53.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 38.1 mtmt -40.28 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 94' ' ' ILE . 5.7 mm-40 -78.77 -63.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -45.19 -50.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 6.2 tt -57.3 -41.37 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.618 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -67.37 -57.42 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.618 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 5.5 p -62.58 -25.11 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.9 OUTLIER -56.95 -35.13 68.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -85.56 -33.65 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.492 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 4.3 mmm180 -55.9 -43.28 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 4.5 ptm180 -76.54 -48.07 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 3.2 mt-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.423 ' CG2' ' SG ' ' A' ' 35' ' ' CYS . 96.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 14' ' ' LEU . 28.7 mt -130.44 128.81 64.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.5 tm? -119.32 127.94 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -131.42 -179.61 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 t -156.35 131.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ALA . 34.9 tp60 -134.69 95.17 16.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 70.7 p -113.64 -141.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -38.79 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -46.82 146.76 2.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.48 37.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.96 33.83 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.9 116.2 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -142.05 144.86 33.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 4.6 m-85 -112.74 152.87 28.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -132.27 175.81 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -142.15 145.04 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 69.1 m-85 -134.75 -178.4 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.78 -30.13 12.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 161.03 34.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.473 HG11 ' CE ' ' A' ' 36' ' ' MET . 2.2 t -66.47 -46.1 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 24.8 m-20 -49.72 -49.21 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.69 -36.94 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 4.9 t -58.86 -54.03 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.254 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.473 ' CE ' HG11 ' A' ' 32' ' ' VAL . 2.6 tpp -66.01 -41.29 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.3 tt0 -37.27 -58.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 41' ' ' LYS . . . -37.47 -57.49 1.47 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.0 t -41.58 -61.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 t -44.12 -48.01 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.2 mttt -48.72 -57.86 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' LYS . 35.4 mtm -34.76 -66.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 64' ' ' LEU . 68.8 t80 -54.96 -55.5 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.0 mt-10 -40.98 -46.27 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' LEU . 4.6 mm-40 -47.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -46.49 -25.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.669 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.8 mp -83.71 -47.18 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -38.82 -60.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.57 57.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -71.03 -40.67 71.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.417 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 3.1 m-80 -117.6 103.7 50.5 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -53.51 -35.57 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.5 OUTLIER -40.45 100.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.66 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -125.43 1.11 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.59 167.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.452 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -173.92 132.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -170.59 -169.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 69.6 m-20 -79.63 112.44 16.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 1.1 tt -45.64 -32.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -46.71 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 1.5 tp60 -53.22 -32.27 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -62.94 -39.06 93.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 16.3 m-30 -67.3 -27.57 67.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.45 -22.24 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.93 -29.01 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.425 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 5.9 mt -64.47 -42.88 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.21 86.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.32 -44.31 68.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.5 mt -46.8 159.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -71.34 -28.44 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 t0 164.97 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.0 tp -100.49 143.7 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -144.45 179.3 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.598 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 3.3 p -157.71 160.97 38.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -125.41 115.9 21.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 89' ' ' TYR . 70.5 t -98.14 124.23 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -90.27 115.39 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLN . 11.3 ptm180 -112.96 120.6 41.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.07 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.94 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -40.88 -51.33 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -122.91 -1.68 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.6 mm-40 55.82 68.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.5 t -155.89 160.93 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.489 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 34.3 p90 -106.39 119.67 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.614 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 3.2 mm100 -97.54 115.97 65.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.0 m-30 -98.79 -179.62 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -107.53 163.93 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 1.1 pttt -52.82 -35.95 57.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.44 -39.04 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.598 ' CE3' ' SG ' ' A' ' 76' ' ' CYS . 31.9 t90 -70.9 -26.66 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.517 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 29.5 mt -79.93 -56.14 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 36.6 mtmt -40.16 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 6.1 mm-40 -76.05 -65.13 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -46.75 -55.03 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 6.9 tt -50.41 -44.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.627 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.88 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.627 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -58.1 -24.07 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.0 OUTLIER -62.29 -37.72 86.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -81.6 -32.29 32.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -56.2 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -61.76 -45.71 92.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.477 HG23 ' CB ' ' A' ' 35' ' ' CYS . 74.0 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -111.27 126.88 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -120.31 126.28 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.574 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.54 -178.38 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -152.7 130.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 18' ' ' THR . 38.9 tp60 -134.12 95.29 16.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 61.9 p -112.84 -151.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.34 -40.37 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -57.45 153.88 26.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . 0.475 ' CA ' ' HD3' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -7.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 89.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.42 34.99 1.04 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HD3' ' CA ' ' A' ' 21' ' ' PRO . 23.2 ptt85 -112.19 134.44 53.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -163.54 158.66 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -134.58 163.98 28.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -134.64 170.6 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -133.23 134.81 44.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 79.7 m-85 -130.22 178.0 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.92 -44.02 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.68 159.65 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.71 -50.58 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 46.0 m-20 -51.05 -50.76 58.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -48.66 -36.44 16.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' CB ' HG23 ' A' ' 11' ' ' THR . 1.6 t -72.13 -38.11 69.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.3 mmt -61.15 -49.71 76.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.1 mt-10 -37.69 -65.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -36.24 -57.54 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.445 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 98.1 t -42.49 -46.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' GLU . 8.5 t -70.61 -38.53 73.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' GLY . 19.0 mttm -53.37 -51.15 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.445 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -36.56 -63.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 64' ' ' LEU . 39.7 t80 -61.52 -45.95 92.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 3.4 mt-10 -42.66 -41.0 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.91 -62.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 43' ' ' TYR . 5.9 mp -84.81 -49.17 8.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.71 -62.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -40.6 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -72.29 -40.87 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 54' ' ' SER . 1.2 m-80 -122.22 101.68 40.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -60.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -46.72 -31.46 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.1 p -40.63 101.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.0 m -123.68 -1.47 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 66.44 167.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.34 128.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.9 p90 -172.57 177.99 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 164.61 14.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.701 ' CG2' ' CE2' ' A' ' 65' ' ' PHE . 1.5 mt -91.5 -46.37 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -53.13 -31.58 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -40.28 96.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -76.92 -46.38 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.701 ' CE2' ' CG2' ' A' ' 61' ' ' ILE . 14.2 m-30 -59.01 -24.52 62.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -24.36 67.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.93 -18.68 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.76 -49.04 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.4 -30.71 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.6 -39.86 85.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.0 mt -49.0 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -86.06 -31.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 t70 168.64 107.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 15' ' ' VAL . 9.6 tp -102.03 137.67 40.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -148.32 179.57 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 6.7 p -154.27 160.94 42.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -122.65 125.54 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.573 HG23 ' CE2' ' A' ' 89' ' ' TYR . 20.7 t -103.77 132.02 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.62 113.25 25.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -109.71 112.57 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.67 -18.46 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -49.71 -52.77 28.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.8 p -128.0 15.16 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 39.46 61.42 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.4 t -135.85 -160.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -134.36 133.9 41.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -105.36 111.84 64.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.39 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 73.4 m-85 -107.97 147.16 31.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.55 168.09 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -60.76 -34.87 75.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -49.26 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.598 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 75.2 t90 -52.05 -42.32 63.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.512 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 6.8 mt -68.15 -54.44 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.472 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 32.5 mtmt -37.87 -32.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 94' ' ' ILE . 39.8 mm-40 -78.33 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.598 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -50.18 -51.41 44.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 94' ' ' ILE . 14.1 tt -55.27 -48.94 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.8 t80 -60.21 -50.45 73.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.98 -11.67 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -82.92 -23.94 33.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -88.4 -51.12 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 11.4 mmm180 -35.57 -42.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 7.7 ptm180 -78.27 -44.35 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.477 HG21 ' CD1' ' A' ' 14' ' ' LEU . 65.5 mt -123.15 119.24 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -119.24 123.64 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.563 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.46 -170.84 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 t -157.12 123.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' ALA . 24.6 tp60 -124.74 95.8 41.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.75 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -119.79 -140.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -37.88 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -51.68 153.86 3.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.05 19.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.83 84.03 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.66 -42.89 1.08 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -41.94 109.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 t -143.06 143.82 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 8.7 m-85 -119.05 168.49 10.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.5 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.81 121.58 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.588 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 28.7 m-85 -121.02 -178.45 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.2 -21.38 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.06 179.24 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.52 -47.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -52.61 -38.98 61.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.36 -41.57 97.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.588 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 3.6 m -61.12 -44.77 96.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' VAL . 15.5 mmt -50.64 -50.36 54.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -37.3 -59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.81 -39.85 1.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' MET . 50.0 t -65.97 -47.55 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' GLU . 6.9 t -66.26 -34.76 78.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . 24.3 mmtt -57.34 -52.1 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -37.57 -66.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 64' ' ' LEU . 11.9 t80 -53.03 -49.94 65.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -45.58 -48.44 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.36 -66.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -52.58 -20.49 3.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.1 mp -81.48 -49.86 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.21 -61.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -41.36 49.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.83 -42.08 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 2.3 m-80 -114.99 97.66 48.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -63.52 -32.61 74.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -42.0 103.49 0.31 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m -120.97 0.9 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.22 168.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.46 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.52 133.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.7 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 31.1 p90 -174.91 157.22 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.64 154.75 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.575 ' CG2' ' CE2' ' A' ' 65' ' ' PHE . 1.8 mt -72.49 -46.92 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.1 p -52.82 -26.77 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -42.69 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.522 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -71.25 -36.72 71.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.575 ' CE2' ' CG2' ' A' ' 61' ' ' ILE . 14.6 m-30 -73.78 -23.74 59.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.29 -21.56 66.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -19.7 19.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.9 mt -66.18 -32.65 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.79 -18.8 58.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.37 161.59 30.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -70.46 -40.36 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t70 177.57 104.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -98.94 127.39 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 m -139.43 178.76 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.508 ' SG ' ' CZ3' ' A' ' 93' ' ' TRP . 22.9 p -155.56 145.78 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.63 134.48 55.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.75 138.77 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.4 129.67 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 7.9 ptm180 -124.09 104.55 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.95 -19.8 33.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -47.66 -56.19 7.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -120.74 0.04 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mt-30 57.33 79.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.1 t -168.26 168.86 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.54 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 36.6 p90 -105.09 113.57 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 4.3 tm0? -84.67 113.22 47.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 49.6 m-85 -119.09 119.9 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.85 -40.28 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -50.52 -32.98 19.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.564 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 80.5 t90 -70.11 -43.87 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' LYS . 15.5 mt -61.89 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.494 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 34.3 mtmt -37.06 -38.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -69.41 -53.11 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.564 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -58.34 -62.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 15.0 tt -42.83 -50.96 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 103' ' ' ARG . 2.7 t80 -56.69 -49.22 75.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.65 -12.76 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.1 OUTLIER -83.92 -23.77 31.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -88.14 -51.13 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 15.3 mmm180 -34.08 -46.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 ptm180 -74.22 -46.62 40.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.6 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 14' ' ' LEU . 14.5 mt -121.62 126.02 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 tm? -121.44 127.44 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -128.31 -172.31 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.74 122.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' ALA . 40.5 tp60 -125.21 96.33 39.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.03 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 66.1 p -108.99 -147.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -29.34 8.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -64.34 148.79 95.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -9.12 20.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.09 95.89 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.25 -8.75 5.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -79.59 133.93 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.346 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 t -147.47 153.71 39.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -126.5 148.03 49.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.61 176.57 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.97 117.41 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -119.5 -179.75 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.11 -32.97 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 164.98 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.47 HG12 ' CE ' ' A' ' 36' ' ' MET . 3.7 t -77.72 -45.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.3 p-10 -49.13 -37.63 22.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -39.47 -57.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.61 -57.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.71 -34.78 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -80.53 -66.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.471 ' CB ' HD12 ' A' ' 98' ' ' ILE . 2.6 t -41.62 -47.25 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' MET . 16.7 mmmt -43.9 -52.89 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' LYS . 32.0 mtm -34.28 -69.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 64' ' ' LEU . 17.3 t80 -53.72 -47.46 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.17 -43.82 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.26 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -49.83 -22.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.587 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.2 mp -83.69 -47.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.59 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -41.46 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.67 -32.48 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -132.16 101.07 15.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -60.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -46.94 -31.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.7 p -41.2 101.59 0.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -124.18 -0.89 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.61 167.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.464 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -170.42 135.03 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 9.0 p90 -172.2 -174.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 61.8 m-20 -79.8 133.87 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -67.46 -23.32 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.37 -32.8 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 14.0 tp60 -73.06 -23.54 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.06 -42.0 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE1' HG23 ' A' ' 98' ' ' ILE . 13.0 m-30 -66.1 -18.66 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.85 -19.23 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -34.29 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.8 mt -52.5 -39.86 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.43 -42.95 82.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -43.57 -37.09 2.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -54.83 161.47 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -76.93 -30.6 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.16 104.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 3.7 tp -98.42 142.15 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -147.39 178.93 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.514 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 4.7 p -156.13 166.91 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 1.8 mm? -128.16 134.95 49.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.0 t -113.4 123.89 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 5.6 t80 -88.94 118.34 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -116.92 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.09 -27.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 -39.44 58.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.7 p -124.84 5.73 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER 40.01 76.19 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -167.43 164.73 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.407 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 18.0 p90 -109.99 132.77 53.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.593 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.9 mm100 -106.58 112.82 63.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.02 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 79.4 m-85 -107.51 126.1 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -61.32 176.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 1.0 OUTLIER -67.39 -39.92 85.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -49.44 -28.01 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.589 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 60.8 t90 -75.96 -57.24 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 107.982 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.514 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 5.4 mt -49.97 -39.89 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.4 mtmt -56.03 -38.59 70.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.472 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -74.3 -12.46 60.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -99.11 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 3.6 tt -39.4 -47.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.616 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -54.18 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.616 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 3.3 p -62.38 -34.8 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 36' ' ' MET . 1.0 OUTLIER -51.57 -44.58 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -73.76 -41.38 62.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -55.6 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.4 ptt180 -65.91 -38.96 90.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.0 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' A' ' 14' ' ' LEU . 13.5 mt -108.25 123.18 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -119.14 123.23 43.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.549 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -124.36 175.64 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG2' HD12 ' A' ' 74' ' ' LEU . 1.2 t -147.86 128.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.47 ' NE2' ' HD2' ' A' ' 17' ' ' PRO . 35.0 tp60 -127.04 97.67 31.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.2 Cg_endo -74.97 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 72.3 p -121.44 -141.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -37.71 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -57.85 149.95 51.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.89 21.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 pt-20 -72.84 86.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 -19.31 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.21 125.12 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -147.9 141.5 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.549 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 7.2 m-85 -108.25 164.27 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.453 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -135.81 177.24 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.25 137.4 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . 0.453 ' CE2' ' HB1' ' A' ' 27' ' ' ALA . 99.7 m-85 -146.4 174.55 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -114.72 -37.34 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.41 135.04 42.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.466 HG11 ' CE ' ' A' ' 36' ' ' MET . 41.3 t -52.4 -40.27 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.57 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 66.6 mm-40 -38.37 -46.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.2 -54.86 42.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.475 ' CG ' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -50.52 -60.56 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -38.58 -60.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.41 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 36' ' ' MET . 41.9 t -68.78 -58.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.7 t -47.77 -44.96 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -46.88 -53.53 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' LYS . 17.4 mtm -34.71 -72.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 64' ' ' LEU . 29.9 t80 -50.6 -46.15 57.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.1 -46.82 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.76 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -49.39 -23.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.695 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.4 mp -82.48 -48.38 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.33 -61.81 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -41.76 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.43 -42.06 75.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -117.02 103.07 52.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -54.11 -36.31 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.78 99.67 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -123.59 0.47 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.43 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.09 130.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.695 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.5 p90 -171.26 177.84 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.68 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -61.86 -40.43 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -21.56 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -88.35 -44.56 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -49.6 -49.06 48.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CE1' HG23 ' A' ' 98' ' ' ILE . 18.1 m-30 -64.54 -28.0 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -25.11 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -28.92 18.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 mt -60.87 -36.26 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -69.45 -40.09 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.11 -39.32 63.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 mt -53.29 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.06 -39.55 49.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.6 t70 173.27 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 91' ' ' LYS . 4.8 tp -104.74 132.18 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -142.12 170.73 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.5 p -158.36 162.88 37.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.5 mm? -130.64 139.01 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.85 130.9 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -95.84 118.16 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLN . 1.4 ptp180 -117.98 116.42 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -11.11 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -48.46 80.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.9 p -118.61 -3.67 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.9 mm-40 53.75 61.35 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -153.9 165.32 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 33.6 p90 -104.57 113.48 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.622 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.58 113.54 49.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.478 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 75.2 m-85 -130.08 132.22 46.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.69 175.34 2.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -61.46 -40.81 95.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -47.89 50.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.609 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 57.9 t90 -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.043 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 98' ' ' ILE . 4.1 mt -66.94 -53.95 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 94' ' ' ILE . 26.4 mtmt -39.23 -33.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 94' ' ' ILE . 5.2 mm-40 -79.87 -55.66 4.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -50.97 -58.97 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 94' ' ' ILE . 19.4 tt -39.17 -58.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' ILE . 6.5 t80 -53.32 -51.45 62.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 67.2 t -61.45 -24.28 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -74.34 -31.95 62.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -78.78 -33.33 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.425 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 17.1 mmm180 -53.96 -52.82 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.4 ptm180 -69.61 -48.07 61.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . 0.428 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.3 mt-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.466 HG21 ' CB ' ' A' ' 35' ' ' CYS . 88.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 14' ' ' LEU . 26.4 mt -97.9 124.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.16 124.1 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -132.06 -173.7 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.7 t -156.3 142.47 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ALA . 23.6 tp60 -143.94 95.02 5.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.94 -49.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 73.2 p -109.71 -142.33 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.48 33.49 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -111.28 148.43 38.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.98 21.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -86.12 -8.57 57.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.13 63.34 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.32 101.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -123.57 148.81 46.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 3.8 m-85 -109.84 164.98 12.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.06 177.29 9.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.2 135.49 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -125.84 173.47 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -82.47 -56.72 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.14 160.81 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.31 -48.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 36.7 m-20 -48.04 -44.31 31.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -60.47 -42.78 96.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.466 ' CB ' HG21 ' A' ' 11' ' ' THR . 5.9 t -55.88 -35.8 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' GLU . 15.9 mmt -67.63 -48.6 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -38.2 -69.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.49 -58.43 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.7 t -45.29 -49.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLU . 44.3 t -61.38 -42.37 98.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' MET . 12.5 mttt -50.42 -51.25 48.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' LYS . 22.2 mtm -35.11 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 41.1 t80 -52.9 -45.0 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.21 -44.83 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.58 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -53.21 -20.44 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -38.68 -61.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -39.68 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -73.34 -41.91 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -113.69 107.46 52.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -75.01 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -38.65 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -36.62 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -75.02 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -124.89 0.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 68.11 168.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -172.34 133.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.3 p90 -169.74 -173.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 83.0 m-20 -82.5 119.87 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -45.16 -37.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -67.44 -42.28 83.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 8.9 mm-40 -57.76 -36.91 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -59.08 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE1' HG22 ' A' ' 98' ' ' ILE . 17.9 m-30 -66.64 -20.02 65.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.4 -20.68 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -95.49 -37.4 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.476 ' CG2' ' HE2' ' A' ' 91' ' ' LYS . 11.7 mt -50.52 -54.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.51 -34.76 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' PHE . 18.2 t0 -56.47 -42.28 77.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.5 mt -47.08 161.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -77.52 -35.22 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 170.04 107.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.88 147.92 23.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -145.76 179.02 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.545 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 2.1 p -157.95 158.26 34.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.19 124.33 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.6 t -111.06 132.02 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -108.7 110.93 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.93 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -43.36 -55.27 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.2 p -127.47 16.31 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 40.23 65.45 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 t -143.95 167.55 22.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 29.0 p90 -105.24 118.9 37.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.4 mm100 -93.03 112.25 55.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 69.8 m-85 -110.94 133.3 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HE2' ' CG2' ' A' ' 68' ' ' ILE . 6.3 ptmt -88.18 -31.46 19.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 1.3 t0 -60.78 -26.61 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.606 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 82.4 t90 -75.52 -32.84 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.545 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 30.0 mt -72.05 -56.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.8 mtmt -38.42 -36.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 8.5 mm-40 -66.03 -62.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -48.3 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.496 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 10.6 tt -39.1 -47.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.619 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -62.87 -67.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.619 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -54.54 -19.91 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -69.75 -40.24 76.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -77.14 -30.51 55.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -66.1 -47.46 74.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -35.95 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . 0.512 ' CG2' ' SG ' ' A' ' 76' ' ' CYS . 1.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 14' ' ' LEU . 25.9 mt -98.1 122.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.1 tm? -119.69 125.61 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . 0.586 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.17 -169.98 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 74' ' ' LEU . 1.7 t -158.47 124.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -126.8 87.28 56.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.42 2.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.2 p -146.6 161.44 40.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -31.96 71.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 151.57 68.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.58 20.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.94 85.23 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.57 39.36 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.0 130.94 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t -173.21 153.75 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.586 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 6.0 m-85 -116.13 175.6 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.53 171.75 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -152.02 133.25 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.6 -20.25 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -179.85 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG2' ' OG1' ' A' ' 11' ' ' THR . 2.6 t -91.86 -46.43 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.6 p-10 -51.68 -35.36 42.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.4 -37.72 87.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.27 -45.15 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 39' ' ' VAL . 14.8 mmt -55.35 -53.12 60.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 2.7 tt0 -38.39 -52.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.447 ' HA2' ' CD ' ' A' ' 41' ' ' LYS . . . -50.22 -42.07 40.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' MET . 75.5 t -59.45 -27.14 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -90.48 -20.31 22.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' CD ' ' HA2' ' A' ' 38' ' ' GLY . 14.4 mttm -64.71 -69.87 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 43' ' ' TYR . 5.7 ptp -35.79 -33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.574 ' CE1' ' HA ' ' A' ' 64' ' ' LEU . 58.4 t80 -77.93 -61.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.17 -33.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.85 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -46.5 -25.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.3 mp -84.28 -48.13 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.85 -61.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -42.57 31.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -72.28 -31.89 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.9 m-80 -131.53 102.71 15.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -61.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' SER . 27.9 m-80 -45.82 -34.04 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 25.9 p -38.38 99.13 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -74.96 -44.46 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -123.97 -1.47 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.38 167.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' THR . . . . . 0.466 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -171.94 136.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 5.3 p90 -167.57 -170.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -90.13 132.11 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.59 HG22 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -56.47 -34.6 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -68.34 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -81.63 -58.13 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.574 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -45.56 -47.8 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -65.82 -30.62 71.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' GLN . 1.4 t0 -51.86 -23.85 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -94.32 -38.89 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 4.5 mt -45.1 -41.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.69 -41.62 82.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' PHE . 22.0 t70 -47.38 -45.6 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.6 mt -47.61 171.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 73' ' ' ASP . . . -84.01 -25.12 30.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER 155.99 119.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 15' ' ' VAL . 9.5 tp -97.93 129.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' SER . . . . . 0.477 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 1.6 m -131.02 162.98 28.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 10.5 t -151.87 151.7 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.2 mm? -118.27 138.97 52.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.513 HG22 ' CH2' ' A' ' 93' ' ' TRP . 7.2 t -116.34 158.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 81' ' ' ALA . 4.3 t80 -78.62 140.05 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.716 ' H ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -146.64 55.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . . . -38.04 -31.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 80' ' ' ARG . 11.3 m-20 -40.23 -42.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' THR . . . . . 0.4 ' CG2' HG21 ' A' ' 85' ' ' THR . 0.1 OUTLIER -118.62 -22.17 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.27 53.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' THR . . . . . 0.554 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 1.7 t -131.06 -119.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' TYR . . . . . 0.554 ' N ' ' OG1' ' A' ' 85' ' ' THR . 4.2 p90 -161.09 128.16 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -104.4 104.46 44.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 148.89 36.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 96.5 m-85 -147.36 121.26 9.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.25 -177.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 3.2 ptpp? -72.02 -37.63 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -48.03 -48.6 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' TRP . . . . . 0.525 ' NE1' ' NZ ' ' A' ' 97' ' ' LYS . 77.4 t90 -56.76 -42.71 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 10.2 mt -65.67 -56.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LYS . . . . . 0.487 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 42.1 mtmt -43.14 -39.39 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 19.0 mm-40 -66.84 -46.6 74.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' LYS . . . . . 0.525 ' NZ ' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -64.41 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 2.6 tt -39.51 -44.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' TYR . . . . . 0.59 ' CD2' HG22 ' A' ' 61' ' ' ILE . 2.2 t80 -60.75 -47.41 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' VAL . . . . . 0.468 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 39.7 t -69.92 -28.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -57.64 -34.01 68.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.65 -29.29 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 22.2 mmm180 -60.3 -50.83 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.05 -44.13 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.33 145.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 110.053 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.26 103.12 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 -124.41 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -160.08 153.9 22.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 178.88 125.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.6 m -113.64 142.22 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -132.59 -176.78 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -108.77 174.29 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -114.84 100.26 8.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.585 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 m -95.49 156.66 16.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.463 HG22 ' CD1' ' A' ' 14' ' ' LEU . 12.6 mt -125.97 132.8 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.431 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.9 OUTLIER -119.2 125.13 48.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.607 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -129.79 163.22 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.0 t -139.97 130.52 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' NE2' ' O ' ' A' ' 18' ' ' THR . 40.5 tp60 -131.97 95.62 21.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 39.5 p -116.33 -145.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -27.91 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -58.63 152.21 47.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.89 8.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.49 99.44 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.01 -28.65 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -87.66 131.33 34.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.7 t -141.5 152.21 43.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.607 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 5.7 m-85 -115.04 154.92 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -131.51 177.45 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -137.32 141.04 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 95.6 m-85 -143.55 176.34 9.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.12 -52.47 3.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -100.3 163.86 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG11 ' CE ' ' A' ' 36' ' ' MET . 3.2 t -70.45 -47.74 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.476 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.7 OUTLIER -48.2 -54.25 14.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 56.6 mm-40 -49.53 -54.3 18.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.46 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 3.3 t -42.81 -57.73 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.476 ' CE ' HG11 ' A' ' 32' ' ' VAL . 2.0 mpp? -56.65 -37.74 71.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.89 -45.83 10.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.94 -28.56 58.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.454 ' N ' ' O ' ' A' ' 36' ' ' MET . 47.5 t -74.01 -66.17 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -41.8 -49.84 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.6 mmtp -41.43 -53.03 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' LYS . 40.8 mtm -35.44 -48.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE2' HD22 ' A' ' 47' ' ' LEU . 9.6 t80 -74.06 -53.28 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.4 mt-10 -43.02 -62.78 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -40.38 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 6.7 t60 -69.53 -20.92 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.712 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.3 mp -86.66 -45.25 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.01 -64.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -45.29 -42.51 9.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 39.2 mtp -73.13 -34.74 66.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.3 m-80 -122.56 100.59 41.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' PRO . 34.7 m-80 -56.03 -35.24 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -38.5 98.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.96 -42.04 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.6 m -122.35 -0.25 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.14 167.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.456 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.43 133.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.712 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 27.8 p90 -173.08 177.29 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.69 130.75 41.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.478 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 1.4 tt -63.66 -24.82 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 -36.52 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -65.1 -21.25 66.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.56 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -75.41 -38.05 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.7 m-30 -71.07 -16.46 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 -17.77 56.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.62 -19.85 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.466 ' CG2' ' HD3' ' A' ' 95' ' ' LYS . 11.0 mt -71.11 -31.52 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.2 -48.43 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -44.04 -40.01 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.426 ' CD1' HD12 ' A' ' 74' ' ' LEU . 11.8 mt -54.15 172.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -81.64 -42.31 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 177.64 120.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD12 ' CD1' ' A' ' 71' ' ' LEU . 1.5 tp -98.64 135.91 39.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -138.76 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.438 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 7.9 p -155.52 151.15 27.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -115.42 119.43 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.3 t -107.29 123.87 62.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -90.42 118.98 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 3.0 ptt180 -108.09 104.82 14.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.16 -26.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 10.2 t0 -40.74 -57.2 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -125.9 13.72 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 44.02 60.58 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -140.46 159.47 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.488 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 25.6 p90 -105.51 124.35 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 mm100 -102.4 117.29 61.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 108.93 2.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 20.9 m-30 -98.01 179.55 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -98.89 176.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 4.7 ptpt -66.19 -41.26 90.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -47.63 30.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.513 ' CE2' ' HE3' ' A' ' 97' ' ' LYS . 11.0 t90 -56.5 -33.35 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.476 ' CD1' ' HA ' ' A' ' 91' ' ' LYS . 9.2 mt -78.83 -42.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.466 ' HD3' ' CG2' ' A' ' 68' ' ' ILE . 32.7 mtmt -61.27 -15.22 32.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -91.72 -53.67 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.513 ' HE3' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -54.82 -55.06 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.439 ' N ' ' HG2' ' A' ' 36' ' ' MET . 18.9 tt -42.62 -58.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.49 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 2.7 t80 -48.91 -48.15 42.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 25.9 t -67.75 -30.87 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -63.07 -28.58 70.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.469 ' CD2' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.89 -57.91 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -67.2 -42.12 84.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -34.84 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.99 -86.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -141.88 -76.73 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.24 -67.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.75 -63.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.2 72.63 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.09 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -42.36 145.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.88 -161.51 9.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.19 170.61 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -136.21 159.21 42.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -129.5 154.92 46.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.42 162.63 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.412 ' C ' ' CD2' ' A' ' 10' ' ' HIS . 86.2 p -120.75 139.72 52.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 9' ' ' SER . 32.2 m-70 -144.85 -61.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m -108.36 156.9 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 57.6 mt -128.34 128.79 68.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -118.93 124.06 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.24 -176.08 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -152.73 142.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' ALA . 33.6 tp60 -141.25 96.03 7.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.406 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.4 Cg_endo -75.04 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.5 p -115.31 -142.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -129.07 30.9 4.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -113.59 149.8 42.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.87 19.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 56.39 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 169.07 -31.0 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLY . 7.2 t -127.7 162.37 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 2.2 m-85 -144.35 159.12 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -122.71 168.48 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -137.23 117.29 13.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 78.4 m-85 -125.9 -178.29 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.78 -29.52 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.58 169.77 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.33 -48.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.463 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.2 p-10 -52.48 -35.41 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.6 -43.79 97.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.427 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 9.3 m -61.29 -45.41 94.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.421 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.6 mmt -50.96 -54.46 24.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.0 tt0 -37.49 -57.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.75 -46.17 4.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.34 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 6.0 t -49.55 -47.78 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.0 mmtp -42.67 -52.49 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.42 ' C ' ' O ' ' A' ' 41' ' ' LYS . 35.8 mtm -35.84 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.566 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 2.8 t80 -75.6 -54.21 7.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.3 mt-10 -41.47 -61.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.34 -33.35 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' TYR . 10.7 t60 -78.33 -23.22 47.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.623 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.706 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -84.69 -45.99 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -37.47 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -41.31 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 46.1 mtp -72.55 -33.43 66.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.2 m-80 -126.17 102.45 27.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -52.33 -36.73 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -41.47 100.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.8 t -120.63 0.1 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.68 167.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.453 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -177.43 133.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.706 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 23.8 p90 -170.2 -177.94 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.5 125.96 30.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.591 HD12 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -56.15 -30.42 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -31.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -71.08 -22.91 62.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.566 ' HB2' ' CD2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -79.41 -39.12 33.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.48 ' CE1' HG21 ' A' ' 98' ' ' ILE . 14.7 m-30 -69.89 -19.37 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -23.49 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -28.42 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.48 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 17.1 mt -58.64 -46.93 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.19 -44.75 83.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -42.03 -45.77 3.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.4 mt -47.69 157.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -67.07 -32.15 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 t0 163.29 111.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.88 143.16 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -142.85 179.47 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.7 p -153.63 157.67 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -122.0 110.14 15.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.3 t -97.87 133.46 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -91.81 137.91 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -131.1 91.89 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -48.92 -23.74 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -51.97 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.5 p -121.03 -5.07 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 60.66 73.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -161.81 163.57 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.499 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 25.6 p90 -106.62 123.74 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.569 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.9 mm100 -99.71 117.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.47 2.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.569 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 13.8 m-30 -99.92 179.94 4.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -108.29 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.48 ' HD3' ' CG2' ' A' ' 68' ' ' ILE . 0.1 OUTLIER -67.13 -33.52 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -53.54 -33.0 53.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.638 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 35.3 t90 -76.4 -29.22 57.02 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 21.1 mt -76.53 -51.3 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 46.3 mtmt -47.45 -24.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.406 ' N ' ' C ' ' A' ' 94' ' ' ILE . 6.3 mm-40 -79.09 -47.11 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.638 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -65.67 -64.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.492 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 3.4 tt -38.56 -45.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CD2' HD12 ' A' ' 61' ' ' ILE . 3.0 t80 -60.02 -54.96 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.499 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 21.6 t -62.36 -27.21 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -64.16 -30.79 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.492 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.0 -27.96 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.6 mmm180 -58.49 -57.07 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 6.0 ptm180 -68.74 -47.69 65.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -41.71 -40.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.36 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.28 -76.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 74.66 -62.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.87 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 89.37 79.08 1.32 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -123.33 153.53 40.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 111.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.01 71.36 1.96 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.51 105.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.71 169.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -55.95 146.39 22.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mtm -60.45 135.31 57.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -177.1 132.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -155.23 133.1 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.429 HG22 ' CB ' ' A' ' 35' ' ' CYS . 22.6 m -90.89 142.38 27.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.478 HG23 ' CD1' ' A' ' 14' ' ' LEU . 72.6 mt -104.85 136.2 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -130.84 123.95 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.541 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -129.32 179.79 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -150.14 126.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.449 ' NE2' ' O ' ' A' ' 18' ' ' THR . 34.4 tp60 -128.99 94.41 34.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 70.9 p -117.71 -140.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.43 30.51 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.81 150.86 41.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.69 76.79 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.23 43.28 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 102.93 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.3 t -128.85 177.25 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 3.7 m-85 -139.43 179.91 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.83 172.03 14.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.45 126.21 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -126.94 -178.57 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.73 -39.22 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 -176.96 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.24 -50.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 101' ' ' LEU . 1.2 p30 -48.52 -52.59 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 8.9 mm-40 -46.31 -47.03 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.429 ' CB ' HG22 ' A' ' 11' ' ' THR . 4.0 t -57.48 -46.95 83.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.44 ' SD ' ' CG2' ' A' ' 94' ' ' ILE . 13.9 mmt -55.81 -48.82 74.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.2 mt-10 -37.84 -65.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.7 -52.66 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.436 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 70.6 t -54.57 -48.76 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.7 t -64.61 -37.53 87.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.8 mmtp -60.64 -53.04 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.436 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -36.26 -67.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.568 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 49.6 t80 -52.88 -49.29 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.27 -42.73 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.2 -53.51 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.49 -18.1 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.714 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -86.66 -49.76 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.481 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 22.3 mttt -45.19 -52.51 9.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.14 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.58 -39.12 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 1.9 m-80 -112.97 96.14 37.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.797 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -65.14 -32.99 74.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -39.41 107.18 0.43 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -125.28 0.65 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.481 ' CD1' ' HG2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER 68.29 168.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.418 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.99 136.35 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.714 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -171.38 -177.83 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.04 126.22 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.71 -34.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -62.08 -33.02 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.11 -46.21 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.568 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -52.7 -46.0 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.528 ' CG ' ' HD2' ' A' ' 95' ' ' LYS . 17.3 m-30 -65.94 -30.01 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -52.01 -22.99 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -22.28 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.454 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 19.8 mt -63.92 -56.96 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.49 -45.66 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -41.38 -45.49 3.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 46.8 mt -49.19 165.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.44 -29.08 52.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 165.05 108.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.39 131.61 46.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 178.62 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.43 ' SG ' ' CD1' ' A' ' 94' ' ' ILE . 19.6 p -158.44 161.92 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.258 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.6 mm? -129.28 130.82 46.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.548 HG21 ' CH2' ' A' ' 93' ' ' TRP . 33.7 t -110.77 131.07 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.82 127.33 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.433 ' CD ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -125.85 87.58 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.0 -28.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -49.77 -43.29 48.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.433 ' OG1' ' CD ' ' A' ' 80' ' ' ARG . 41.0 p -117.48 -8.14 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 55.18 65.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 t -160.51 170.28 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 27.6 p90 -115.11 129.12 56.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 8.3 mm100 -97.55 111.47 58.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.0 108.1 2.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 98.4 m-85 -106.92 156.53 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -91.34 168.46 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.454 ' HD3' ' CG2' ' A' ' 68' ' ' ILE . 0.5 OUTLIER -55.49 -37.58 68.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -46.72 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.588 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 51.9 t90 -53.83 -54.38 39.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.047 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.499 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 3.4 mt -57.39 -54.97 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.528 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 26.1 mtmt -34.95 -35.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' ILE . 4.4 mm-40 -76.64 -55.95 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -52.88 -53.91 42.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.499 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -52.7 -44.13 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.406 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 18.9 t80 -65.7 -60.68 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.408 HG22 ' O ' ' A' ' 96' ' ' GLU . 61.3 t -57.29 -24.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.485 ' CD1' ' CB ' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.93 -35.87 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.8 -33.86 27.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -56.91 -46.12 82.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 13.0 ptm180 -74.62 -48.51 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.7 mt-30 -43.55 -30.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -42.29 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' GLN . 6.0 mm100 -141.61 -45.25 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' GLN . 1.4 tt0 -37.43 -66.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -135.48 92.04 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.4 69.82 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -176.38 149.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -174.89 92.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.52 88.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.82 154.1 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.74 165.85 12.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -128.05 26.38 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.27 -176.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -143.99 155.44 44.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.08 -73.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.566 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.401 HG21 ' SG ' ' A' ' 35' ' ' CYS . 37.0 m -93.41 156.73 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mt -130.74 131.28 64.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.4 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . 1.5 tm? -126.22 123.77 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.552 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -125.69 -179.57 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -145.27 141.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.436 ' O ' ' N ' ' A' ' 72' ' ' ALA . 33.3 tp60 -144.76 95.25 5.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.497 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 6.3 p -107.34 -143.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -37.81 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -54.51 155.99 6.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -8.65 20.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.77 105.55 17.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 28.41 2.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.05 144.81 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 t -163.29 169.13 19.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -129.62 171.3 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.43 176.78 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -157.32 135.65 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 6.2 m-85 -134.84 179.89 6.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -82.05 -36.81 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -178.19 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.74 -53.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 3.3 p-10 -47.62 -41.6 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.6 mm-40 -55.85 -47.12 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.417 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 0.1 OUTLIER -55.37 -33.36 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.468 ' CE ' ' HB3' ' A' ' 97' ' ' LYS . 2.5 mpp? -74.41 -29.18 61.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.11 -47.0 65.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -40.18 66.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -56.28 -68.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -43.0 -52.36 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.6 mmtp -41.1 -55.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 41' ' ' LYS . 31.2 mtm -35.71 -44.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.499 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 26.5 t80 -79.81 -52.94 7.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.2 mm-40 -47.63 -55.34 9.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -50.3 -30.36 11.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 22.9 t60 -81.29 -25.66 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.581 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -79.06 -47.99 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.36 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -40.34 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 8.7 mmm -72.8 -34.98 67.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.7 m-80 -129.45 102.22 18.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -46.45 -31.75 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.414 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 9.9 p -43.7 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.81 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.3 t -124.48 -0.99 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 66.25 167.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.466 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.5 OUTLIER -179.91 134.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.711 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 24.1 p90 -170.81 -174.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.54 124.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -60.88 -21.98 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 m -75.84 -16.6 60.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 tp60 -90.76 -34.4 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.499 ' HB2' ' CD2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -63.52 -43.41 97.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.45 ' O ' ' N ' ' A' ' 68' ' ' ILE . 19.2 m-30 -66.55 -31.32 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -47.15 -26.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.402 ' N ' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -85.64 -33.64 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.45 ' N ' ' O ' ' A' ' 65' ' ' PHE . 14.9 mt -56.52 -41.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -43.66 98.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -45.15 -47.86 12.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.1 mt -44.07 160.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.497 ' CB ' ' O ' ' A' ' 17' ' ' PRO . . . -73.6 -41.62 62.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.4 t70 177.32 105.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.5 tp -97.71 142.15 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 20.0 m -143.84 178.74 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.615 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 22.5 p -157.22 153.89 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -117.17 127.02 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.16 125.36 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -88.11 129.74 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.43 109.62 13.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -18.45 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -55.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.3 p -111.61 -11.04 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 63.0 59.56 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 t -149.11 -175.02 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.512 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 19.6 p90 -118.56 122.46 42.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.94 110.13 52.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 108.72 2.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -101.93 162.74 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -85.39 172.8 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.498 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 6.1 ptmt -64.14 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 3.0 t70 -57.16 -38.03 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.618 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 18.4 t90 -64.74 -22.63 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.498 ' CD1' ' HA ' ' A' ' 91' ' ' LYS . 11.0 mt -88.1 -39.88 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . . . . . . . . . 30.9 mtmt -58.74 -15.75 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.437 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 33.6 mm-40 -90.69 -59.59 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -49.09 -55.63 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.449 HG22 ' CZ ' ' A' ' 65' ' ' PHE . 17.9 tt -41.92 -58.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.437 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 10.0 t80 -52.99 -55.14 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.12 -27.51 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -70.0 -31.66 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -82.91 -24.5 33.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.414 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.9 mmm180 -64.08 -58.32 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -40.6 88.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -35.86 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.72 -73.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -146.45 -70.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 -65.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.3 79.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 111' ' ' LYS . . . -126.51 57.77 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -95.28 -58.46 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -131.35 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.22 -174.86 29.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.31 64.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.53 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.1 p -110.33 176.22 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -130.78 167.7 18.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.8 p -116.49 119.96 37.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 -75.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m -90.54 132.12 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.462 HG23 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -104.86 129.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.415 ' O ' ' N ' ' A' ' 27' ' ' ALA . 2.5 tm? -121.34 126.29 49.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.648 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.22 179.74 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 t -152.27 120.56 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' NE2' ' O ' ' A' ' 18' ' ' THR . 11.7 tp60 -121.91 95.28 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 64.4 p -126.1 -139.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -117.16 -37.8 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -47.91 149.02 2.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.86 21.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 97.64 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.47 -42.7 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.72 117.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -144.41 137.66 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.648 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 6.3 m-85 -113.24 174.12 6.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -145.64 175.83 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -142.76 134.3 26.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 89.5 m-85 -138.62 -178.86 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -113.67 -35.26 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.58 144.09 42.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.468 HG12 ' CE ' ' A' ' 36' ' ' MET . 24.5 t -57.49 -32.45 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.504 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.44 -52.42 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.2 mm-40 -47.43 -36.42 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 36' ' ' MET . 35.5 t -63.53 -67.42 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.468 ' CE ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -36.77 -51.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -61.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.94 -44.94 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.77 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -41.5 -48.96 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' MET . 37.2 mmtt -40.66 -52.09 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' LYS . 45.2 mtm -34.97 -72.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 64' ' ' LEU . 7.3 t80 -50.63 -48.66 57.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.76 -45.56 40.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.64 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -48.94 -23.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.0 mp -82.81 -48.02 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.82 -63.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -42.53 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -115.7 102.62 54.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -57.74 -35.05 70.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.78 100.38 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.42 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.3 m -124.26 0.97 8.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.447 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.73 167.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.447 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -178.14 133.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.71 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.1 p90 -171.41 -169.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -81.22 123.97 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.572 HG23 ' CD2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -60.62 -28.37 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -26.98 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.01 -14.42 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -81.27 -44.49 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.453 ' CE1' HG22 ' A' ' 98' ' ' ILE . 18.3 m-30 -68.16 -15.79 63.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.66 47.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -19.87 19.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 23.4 mt -65.49 -40.56 88.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.75 -29.06 70.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.72 -26.93 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 91.0 mt -65.29 164.55 13.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -81.43 -40.2 23.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 44.9 t0 177.32 106.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.78 138.55 34.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -148.21 178.41 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.95 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.501 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 1.7 p -153.58 163.28 40.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.467 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.7 mm? -127.11 106.97 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.56 HG22 ' CH2' ' A' ' 93' ' ' TRP . 45.4 t -87.54 127.25 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -90.3 127.21 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.67 128.55 54.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.17 -12.26 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.36 -46.57 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.4 p -124.9 1.82 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 50.59 56.05 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.418 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 12.8 t -135.66 -153.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.418 ' N ' ' OG1' ' A' ' 85' ' ' THR . 13.5 p90 -129.26 136.53 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.504 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -105.44 105.05 50.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.467 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 108.14 2.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.737 ' CD1' ' CD2' ' A' ' 93' ' ' TRP . 25.2 m-85 -106.49 153.92 21.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.89 164.76 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.468 ' HG3' ' CG2' ' A' ' 68' ' ' ILE . 0.0 OUTLIER -59.26 -42.2 90.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -52.36 -45.83 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.737 ' CD2' ' CD1' ' A' ' 89' ' ' TYR . 74.9 t90 -53.7 -40.08 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.046 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.501 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 6.5 mt -70.45 -52.79 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 94' ' ' ILE . 40.9 mtmt -40.09 -38.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 49.3 mm-40 -74.27 -43.88 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -62.99 -62.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.453 HG22 ' CE1' ' A' ' 65' ' ' PHE . 15.4 tt -39.25 -53.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.233 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.572 ' CD2' HG23 ' A' ' 61' ' ' ILE . 3.3 t80 -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.511 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 20.4 t -61.71 -32.86 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.504 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -60.32 -30.2 69.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.429 HD11 ' N ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -83.08 -27.15 30.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.7 mmm180 -59.99 -58.94 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.55 -45.63 78.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.21 -45.14 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.66 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -142.72 -75.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 74.04 -62.6 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.59 -61.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.61 61.24 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.04 165.03 16.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.47 171.15 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.55 -162.52 33.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.75 150.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -140.52 159.72 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -61.26 148.29 41.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.74 139.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -120.25 -40.78 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 54.71 -168.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.605 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.7 m -90.69 122.07 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.8 mt -96.55 136.97 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -127.47 123.16 35.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.5 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -126.77 -172.53 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 t -162.4 122.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 34.9 tp60 -125.66 95.9 39.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.5 p -112.65 -143.96 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -129.78 30.95 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -112.99 147.14 36.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.46 20.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.07 79.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.42 -35.89 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.84 138.82 38.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -152.18 158.29 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.49 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 4.8 m-85 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -155.52 176.86 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.61 139.24 27.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.0 177.17 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.402 ' HG3' ' N ' ' A' ' 31' ' ' SER . 8.6 pt-20 -98.73 -38.34 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.402 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 41.2 m -119.55 160.18 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.7 t -72.71 -42.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.1 p-10 -55.58 -38.63 69.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -65.83 -37.8 87.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.73 -44.92 96.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 108.255 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.0 mmt -59.3 -46.76 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -37.62 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.72 -59.73 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -45.75 -47.63 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' GLU . 43.4 t -62.5 -39.58 93.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.3 mttm -54.21 -50.6 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 26.3 mtm -34.41 -71.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CD2' ' HA ' ' A' ' 64' ' ' LEU . 15.1 t80 -51.92 -45.52 64.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -46.33 69.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.35 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -52.24 -21.55 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.568 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.642 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 3.6 mp -81.94 -48.69 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -38.33 -62.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -40.93 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.77 -38.96 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -125.46 101.64 30.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -49.05 -34.39 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.43 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 18.7 p -41.58 101.31 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.59 -1.85 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.445 HG23 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.57 167.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.445 ' N ' HG23 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.29 134.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.642 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.7 p90 -171.04 -178.01 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 127.08 33.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.454 HD12 ' CD2' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -53.41 -39.29 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -30.19 54.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -76.49 -44.85 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -54.83 -49.2 71.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.496 ' CD1' HD11 ' A' ' 68' ' ' ILE . 18.5 m-30 -68.55 -15.68 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 21.2 t0 -58.48 -27.23 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -24.32 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.496 HD11 ' CD1' ' A' ' 65' ' ' PHE . 20.7 mt -56.68 -37.23 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.19 -33.59 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 74.2 mt -57.39 171.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.411 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -86.65 -40.55 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 177.19 109.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.03 140.85 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.76 179.2 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.621 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 7.0 p -157.1 160.54 38.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -127.16 115.45 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.569 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 35.2 t -100.22 143.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -98.1 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 84.48 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.07 -27.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.3 -38.67 42.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 43.0 p -125.02 3.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 43.71 72.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.1 t -167.91 164.82 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.493 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 37.3 p90 -109.3 116.7 32.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.86 111.48 53.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.617 ' CD2' ' CE2' ' A' ' 93' ' ' TRP . 18.5 m-85 -100.88 -179.56 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -100.07 -175.54 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.88 -33.31 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.62 -41.41 81.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.635 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 55.1 t90 -64.12 -33.0 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.497 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 13.7 mt -75.19 -54.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.513 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 43.8 mtmt -43.71 -27.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.428 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 7.8 mm-40 -76.14 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.635 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.48 -55.44 10.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.513 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 5.3 tt -50.93 -51.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 7.5 t80 -57.97 -55.23 37.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.87 -24.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.404 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -72.91 -34.13 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD2' HD12 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -79.24 -29.39 42.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.422 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.0 mmm180 -56.18 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.1 ptm180 -67.05 -48.08 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -41.68 -37.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -43.86 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 108' ' ' GLN . 19.5 mt-30 -148.16 -44.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 107' ' ' GLN . 3.6 mp0 -52.74 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.15 -45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.75 -59.03 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -145.82 112.23 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.54 128.12 55.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.14 -166.86 11.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.93 170.46 18.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.84 176.3 5.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -157.6 156.4 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.3 mtt -95.18 147.16 23.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t 63.41 135.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -163.41 152.68 14.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.51 ' CG2' ' SG ' ' A' ' 76' ' ' CYS . 2.4 m -105.42 126.91 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.404 HG21 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -91.39 124.57 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -119.31 123.86 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -124.36 -174.82 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -153.17 138.36 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.619 HE22 ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -132.04 95.64 21.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.456 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -42.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 49.2 p -141.34 -63.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.619 ' N ' HE22 ' A' ' 16' ' ' GLN . 1.1 mmtt 164.39 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LYS . 23.8 mmt180 -38.11 144.16 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -11.13 21.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.55 -13.34 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.63 53.07 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -158.31 120.8 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -150.07 176.45 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -137.95 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.87 172.93 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.53 126.8 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.46 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 93.5 m-85 -124.77 -178.61 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -93.07 -29.05 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.06 171.52 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 2.2 t -75.44 -52.11 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.473 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 69.4 m-20 -39.93 -58.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.46 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 8.5 mm-40 -40.55 -46.77 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 76.0 m -58.35 -51.04 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 13.6 mmt -50.19 -32.04 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -60.73 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.93 -38.03 7.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.407 ' O ' ' HB2' ' A' ' 42' ' ' MET . 49.2 t -62.36 -70.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.48 ' O ' ' C ' ' A' ' 41' ' ' LYS . 3.3 t -42.71 -52.42 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' CYS . 8.8 mmtp -34.15 -50.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.0 mtm -36.21 -57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.567 ' CD2' HD22 ' A' ' 47' ' ' LEU . 9.5 t80 -67.39 -47.3 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -43.04 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 42' ' ' MET . 2.0 pt-20 -47.59 -45.66 27.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.69 -24.91 64.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -84.78 -46.07 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -37.96 -61.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -41.25 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.89 -41.48 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -116.87 104.38 51.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' PRO . 10.7 p30 -55.17 -36.46 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -38.98 99.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.98 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -120.24 0.13 10.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.456 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.07 167.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.456 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.97 132.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.8 p90 -166.81 170.62 12.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.466 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 6.3 m-20 -79.69 139.52 37.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.583 HG21 ' CE2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -60.18 -25.35 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -16.38 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.466 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 21.7 mm-40 -86.45 -19.72 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -80.64 -39.2 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 23.2 m-30 -71.78 -8.96 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.69 -21.09 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -96.44 -32.62 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.484 ' CG2' ' HD2' ' A' ' 95' ' ' LYS . 24.7 mt -54.0 -25.73 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -77.22 -23.33 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' PHE . 8.8 t0 -75.16 -34.34 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.33 163.09 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.34 -38.57 50.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 164.81 112.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.5 tp -103.12 145.17 30.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 22.1 m -148.83 178.76 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 15.9 t -154.22 156.16 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -119.0 136.96 53.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.94 123.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.3 128.62 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 ptp85 -125.95 101.68 6.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.19 -26.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -43.89 -55.36 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -117.57 -8.63 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 61.11 59.38 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.51 163.42 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 44.2 p90 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' ' 89' ' ' TYR . 6.8 tm0? -83.06 112.81 41.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.417 ' HD3' ' O ' ' A' ' 86' ' ' TYR . 18.4 Cg_endo -74.91 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.562 1.822 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CD1' ' CG ' ' A' ' 93' ' ' TRP . 32.7 m-85 -118.59 129.53 55.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 m120 -69.77 157.77 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' LEU . 7.3 pttp -44.58 -42.03 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -54.22 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.716 ' CG ' ' CD1' ' A' ' 89' ' ' TYR . 83.0 t90 -50.1 -47.66 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.483 ' O ' ' N ' ' A' ' 97' ' ' LYS . 3.5 mp -62.73 -53.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.594 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 12.1 mtpt -41.32 -33.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.412 ' HB2' ' NZ ' ' A' ' 97' ' ' LYS . 51.8 mm-40 -72.6 -45.3 59.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -64.11 -63.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.485 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 11.7 tt -40.88 -49.27 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.583 ' CE2' HG21 ' A' ' 61' ' ' ILE . 2.4 t80 -54.17 -47.97 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 14.9 t -71.17 -29.73 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.473 ' CD1' ' HB3' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -59.65 -38.16 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.432 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.32 -37.84 60.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -63.58 -44.98 92.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -75.99 -33.6 59.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.4 -34.59 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.92 -67.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' A' ' 108' ' ' GLN . 4.4 mm-40 -143.32 -79.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 107' ' ' GLN . 0.3 OUTLIER 79.87 -70.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -147.75 103.26 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -139.25 60.05 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 m -153.1 160.75 42.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 0.769 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.08 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.54 68.88 1.02 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.1 175.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.89 142.25 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.6 p -85.25 136.21 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mtp -56.25 128.84 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -174.31 175.67 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.479 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 7.6 m170 63.99 -173.3 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 m -94.22 126.76 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.446 HG23 ' CD1' ' A' ' 14' ' ' LEU . 16.0 mt -99.47 123.45 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -119.05 123.65 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.619 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.51 178.12 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.453 ' CG2' ' SD ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -147.67 126.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.01 88.52 54.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 3.5 p -138.48 172.05 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -79.71 52.39 1.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -121.26 122.77 28.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 20' ' ' ARG . 3.3 mt-10 -102.68 68.34 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.65 -39.44 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.0 131.37 31.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -151.01 147.95 27.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.619 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 7.9 m-85 -111.21 178.2 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.23 176.43 12.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.54 134.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -131.54 173.96 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 10' ' ' HIS . 2.4 mt-10 -93.79 -48.05 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.6 m -105.0 165.72 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.43 -38.85 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.2 p-10 -54.5 -30.77 54.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.81 -48.92 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 7.8 t -46.26 -44.78 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.405 ' O ' ' N ' ' A' ' 39' ' ' VAL . 13.0 mmt -60.0 -49.21 78.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -38.85 -63.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.82 -38.91 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.418 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 47.7 t -71.75 -45.96 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' GLU . 38.0 t -63.85 -35.12 79.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' MET . 9.6 mmtp -61.63 -53.64 53.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.453 ' SD ' ' CG2' ' A' ' 15' ' ' VAL . 0.1 OUTLIER -35.24 -67.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.561 ' CE2' HD22 ' A' ' 47' ' ' LEU . 59.1 t80 -53.73 -53.25 54.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -42.67 -46.54 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 47' ' ' LEU . 5.5 mm-40 -48.69 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -46.96 -24.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -83.65 -48.56 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -39.16 -59.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -40.03 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -71.77 -42.28 67.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.32 103.71 54.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' PRO . 29.9 m-80 -55.46 -36.2 66.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -38.53 98.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.96 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -123.82 0.85 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.459 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.56 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.459 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -174.45 132.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.2 p90 -169.54 -176.74 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.92 120.26 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.481 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -50.87 -31.06 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.6 p -66.36 -34.56 78.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.6 tp60 -70.95 -49.65 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.536 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 0.2 OUTLIER -45.24 -44.61 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.402 ' O ' ' N ' ' A' ' 68' ' ' ILE . 13.8 m-30 -66.34 -31.29 71.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLN . 3.1 t0 -51.54 -23.65 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -93.43 -22.85 18.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 ' CG2' ' HD3' ' A' ' 95' ' ' LYS . 39.6 mt -67.98 -44.12 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.86 -31.49 72.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.5 -33.89 71.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 67.0 mt -57.34 162.1 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -70.51 -44.3 67.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.3 t0 178.08 108.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.432 ' CD1' HG22 ' A' ' 15' ' ' VAL . 4.4 tp -100.24 139.5 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.96 179.16 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.511 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 1.8 p -157.28 164.07 38.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.475 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.1 mm? -126.94 126.95 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.444 HG23 ' CH2' ' A' ' 93' ' ' TRP . 13.4 t -111.52 141.55 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -91.79 143.98 25.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLN . 10.9 ptm180 -142.09 109.93 5.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.87 -14.82 37.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -53.68 -49.15 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.2 p -126.05 1.4 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mm-40 52.83 69.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 9.6 t -154.42 -171.23 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.425 ' N ' ' OG1' ' A' ' 85' ' ' THR . 22.0 p90 -116.81 130.66 56.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.59 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 6.9 mm100 -100.33 108.76 54.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.475 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 54.5 m-85 -106.46 131.88 53.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -178.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.449 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.6 OUTLIER -72.53 -38.04 68.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.56 -40.66 60.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.596 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 70.1 t90 -62.67 -47.04 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.069 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.511 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 7.8 mt -60.11 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.459 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 37.2 mtmt -54.48 -19.04 4.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.515 ' O ' ' CG1' ' A' ' 100' ' ' VAL . 0.0 OUTLIER -91.54 -19.96 22.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -95.19 -55.19 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.493 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -49.0 -42.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.628 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -64.3 -64.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.628 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.5 p -55.65 -24.1 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -63.6 -39.26 93.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.477 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.9 -25.97 40.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.435 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 23.0 mmm180 -62.99 -53.39 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 2.3 ptm85 -69.31 -43.44 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.5 mt-30 -46.48 -37.39 7.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.49 -69.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -139.81 -79.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.429 ' HG3' ' CB ' ' A' ' 104' ' ' ARG . 1.1 tm0? 75.11 -72.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.415 ' CB ' ' O ' ' A' ' 108' ' ' GLN . . . 78.29 -60.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.83 -89.45 0.14 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -120.87 -56.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.5 143.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 -104.74 0.92 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.27 177.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.52 166.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -45.34 168.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 30.74 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t 63.54 139.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -125.56 -71.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.456 ' CG2' ' HB2' ' A' ' 35' ' ' CYS . 18.3 m -94.12 130.9 40.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.457 HG22 ' CD1' ' A' ' 14' ' ' LEU . 18.7 mt -102.47 125.09 56.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -120.27 125.01 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.57 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -129.68 178.38 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.68 131.46 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.438 ' NE2' ' O ' ' A' ' 18' ' ' THR . 41.2 tp60 -133.2 96.02 17.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 37.4 p -110.94 -150.81 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 -31.22 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -57.76 152.77 35.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.58 18.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.95 -17.09 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.21 62.1 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -117.85 75.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -116.8 141.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.3 m-85 -137.79 168.02 20.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.47 175.73 9.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.67 123.4 14.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.9 177.94 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.94 -38.26 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.79 169.61 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.476 HG11 ' CE ' ' A' ' 36' ' ' MET . 5.5 t -86.42 -52.32 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.475 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.0 p-10 -48.42 -34.46 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.456 ' HB2' ' CG2' ' A' ' 11' ' ' THR . 7.7 t -53.09 -45.0 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.53 ' HE1' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -62.25 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.84 -55.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.16 -41.82 31.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' MET . 78.4 t -64.31 -70.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 41' ' ' LYS . 0.5 OUTLIER -38.45 -52.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' CYS . 10.7 mmtp -36.77 -49.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 23.3 mtm -34.18 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.564 ' CE1' ' HA ' ' A' ' 64' ' ' LEU . 7.8 t80 -56.98 -50.59 72.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -36.98 -68.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.9 mm-40 -40.05 -67.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 2.7 t60 -41.02 -32.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.8 mp -81.54 -46.96 13.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -37.41 -62.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -41.87 47.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -69.32 -36.83 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -122.54 103.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' PRO . 11.8 p30 -50.37 -36.36 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.16 98.52 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -75.06 -40.92 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.8 m -122.08 -0.06 9.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.25 168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -170.32 131.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 19.3 p90 -169.15 -179.32 3.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.47 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 80.3 m-20 -85.6 122.42 29.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.478 HG22 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -49.99 -29.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -30.47 56.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.47 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 33.0 mm-40 -70.99 -25.89 62.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.564 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -74.93 -41.44 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.589 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 19.6 m-85 -70.73 -13.02 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.31 -20.98 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.78 -35.76 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' ' HD2' ' A' ' 95' ' ' LYS . 23.5 mt -57.39 -20.11 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.53 -28.67 52.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -68.79 -36.09 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.1 mt -46.11 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.458 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -89.09 -42.46 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 t0 177.22 106.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 7.4 tp -101.25 135.94 41.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 m -138.94 176.47 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.508 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 1.8 p -150.91 154.81 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -121.46 118.08 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -105.16 129.09 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.77 126.17 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLN . 8.7 ptm180 -123.88 112.54 17.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.18 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -51.92 64.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.7 p -119.87 -4.89 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.4 mm-40 58.91 66.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -157.29 164.39 37.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.533 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 29.4 p90 -106.56 118.35 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -91.6 112.45 54.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 118.93 5.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.1 m-30 -117.06 149.2 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.79 -171.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.2 OUTLIER -79.2 -17.56 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -48.01 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.625 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 29.5 t90 -60.16 -35.76 76.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.508 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 15.6 mt -70.06 -55.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.589 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 4.1 mtpp -50.65 -22.47 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -80.63 -44.98 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.625 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -68.9 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.523 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 11.7 tt -38.57 -48.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.488 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 2.3 t80 -55.78 -49.23 73.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.41 ' N ' ' O ' ' A' ' 97' ' ' LYS . 17.6 t -68.05 -27.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -64.71 -31.77 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.411 ' N ' HD11 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -79.01 -33.57 44.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' HA ' ' NH1' ' A' ' 103' ' ' ARG . 4.9 mmm180 -53.36 -56.84 13.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.1 ptm180 -69.05 -50.0 52.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -41.19 -38.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.03 -77.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -147.27 -77.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 77.35 -58.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -148.63 -53.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.51 65.33 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -91.01 169.52 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -106.25 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 131.56 2.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.45 176.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.61 148.27 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -124.59 130.64 52.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt -56.41 159.78 3.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -116.47 126.64 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 -66.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.458 HG23 ' CB ' ' A' ' 35' ' ' CYS . 38.7 m -91.66 157.85 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.447 HG23 ' CD1' ' A' ' 14' ' ' LEU . 11.0 mt -122.79 126.1 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -121.25 123.49 42.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.506 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -130.92 176.64 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.33 140.99 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.3 tp60 -146.14 93.55 5.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.465 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.01 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 67.1 p -110.3 -143.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.52 -39.42 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -44.55 152.2 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -13.25 21.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.46 99.53 4.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 131.31 -38.16 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 65.1 mtm180 -41.64 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.0 t -121.24 153.08 38.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.2 m-85 -135.26 169.91 16.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.46 177.14 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.57 134.15 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -123.74 169.79 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -50.02 10.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.8 p -118.16 177.81 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 HG12 ' CE ' ' A' ' 36' ' ' MET . 1.5 t -77.32 -49.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 61.0 m-20 -41.15 -48.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.47 -38.73 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.458 ' CB ' HG23 ' A' ' 11' ' ' THR . 49.2 t -52.04 -57.02 10.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.303 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.496 ' HE1' ' CH2' ' A' ' 93' ' ' TRP . 1.5 mpp? -64.47 -48.5 74.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' MET . 3.5 tt0 -37.41 -53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -42.61 -43.69 5.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 36' ' ' MET . 74.4 t -61.97 -52.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.6 t -45.38 -35.86 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -57.11 -52.23 66.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' LYS . 28.2 mtm -34.09 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.57 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 14.6 t80 -48.27 -53.97 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.26 -42.8 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.59 -65.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -50.05 -22.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.6 mp -83.67 -48.12 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.83 -62.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -42.44 38.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -69.37 -40.73 77.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.96 102.65 52.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.8 -35.46 70.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -40.98 100.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -122.95 0.77 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.58 167.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -175.53 133.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.65 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.6 p90 -170.99 -174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLN . 4.2 m-20 -83.17 121.41 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.497 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -43.85 -35.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -44.76 83.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.52 ' O ' ' CZ ' ' A' ' 43' ' ' TYR . 3.2 tp60 -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.57 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -65.63 -42.53 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 17.6 m-30 -68.67 -23.94 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.55 -23.85 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -29.98 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 15.1 mt -60.91 -28.04 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -50.18 40.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.52 -44.22 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 93.5 mt -45.58 157.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.465 ' CB ' ' O ' ' A' ' 17' ' ' PRO . . . -78.67 -34.6 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 169.13 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.414 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 4.2 tp -99.24 140.4 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.469 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 38.2 m -146.82 177.34 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.443 ' SG ' ' CZ3' ' A' ' 93' ' ' TRP . 21.8 p -158.46 160.61 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.269 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -120.99 131.0 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 38.0 t -120.4 124.01 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.44 136.72 40.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.414 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -137.49 85.27 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.75 -33.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.36 -46.25 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.7 p -114.21 -16.19 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.64 55.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.6 t -154.46 -174.43 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.402 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 27.5 p90 -120.4 124.32 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' NE2' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -94.74 111.37 54.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 108.09 2.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 19.2 m-85 -99.0 134.95 41.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.09 165.87 24.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.442 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.23 -31.24 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.71 -45.69 91.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 6.9 t90 -66.81 -33.6 75.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.48 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 19.9 mt -70.1 -55.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.59 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 7.4 mtpt -42.52 -28.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.431 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 2.0 mm-40 -75.29 -62.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.31 -55.93 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.519 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 4.9 tt -50.7 -44.38 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.41 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.622 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.3 p -58.33 -21.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.492 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.0 OUTLIER -67.09 -44.19 80.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.488 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.23 -34.52 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.406 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -62.0 -50.37 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.6 ptm180 -71.52 -41.23 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -40.92 -32.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.0 -79.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 108' ' ' GLN . 37.2 mt-30 -149.2 -74.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER 80.83 -74.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.57 -58.21 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.01 91.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -105.47 164.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.65 163.25 39.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 154.26 33.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.94 93.09 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.2 139.67 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -147.17 152.33 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.09 157.5 46.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.432 ' CB ' ' HB2' ' A' ' 28' ' ' ASP . 87.7 p -131.33 118.52 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -93.59 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' CYS . 78.2 m -97.55 139.04 34.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.432 HG22 ' CD1' ' A' ' 14' ' ' LEU . 35.6 mt -111.37 125.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -120.63 124.23 44.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.522 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.22 -177.88 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.6 t -151.17 119.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.451 ' NE2' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -118.31 88.83 34.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.3 Cg_endo -75.04 -37.76 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 p -148.0 164.53 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -32.06 68.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -56.41 153.69 19.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.27 21.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -27.57 2.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.51 59.37 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -117.84 61.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.7 t -117.39 154.94 30.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.7 m-85 -140.15 177.95 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.15 176.9 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.432 ' HB2' ' CB ' ' A' ' 9' ' ' SER . 2.0 p30 -144.5 133.04 22.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.425 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 96.7 m-85 -134.41 179.82 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.94 -28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 147.46 44.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.36 -51.39 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -44.62 -46.76 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 79.8 mm-40 -54.92 -51.37 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 11' ' ' THR . 11.0 t -45.99 -51.36 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' MET . . . . . . . . . . . . . 11.8 mmt -50.6 -48.66 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -38.72 -60.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.65 -42.19 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.446 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 62.4 t -65.1 -51.45 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -62.43 -40.45 96.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 19.3 mmmt -51.43 -56.53 12.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.446 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -35.84 -67.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CD2' ' HB2' ' A' ' 64' ' ' LEU . 18.6 t80 -57.02 -42.19 79.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.422 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.4 mt-10 -53.43 -40.98 65.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.423 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -55.3 -52.06 64.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -67.03 -11.5 57.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.54 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 2.9 mp -83.74 -43.78 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.2 mmtp -34.53 -70.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -41.45 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 26.0 mmm -68.27 -34.06 75.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 m-80 -142.1 98.98 6.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.98 -67.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.6 p30 -42.54 -28.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 43.3 p -36.82 98.98 0.17 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.99 -44.74 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.4 t -122.78 -2.07 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.49 167.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.465 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.33 133.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.434 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 30.9 p90 -178.12 158.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.11 162.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 65' ' ' PHE . 0.2 OUTLIER -90.48 -43.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -15.11 24.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -83.07 -29.21 28.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.516 ' HB2' ' CD2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -87.79 -31.8 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.568 ' CE2' HG23 ' A' ' 61' ' ' ILE . 13.8 m-30 -72.76 -23.5 60.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -20.64 66.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.79 -26.38 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 38.1 mt -59.81 -53.9 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.32 -35.71 67.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.15 -36.93 43.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 mt -56.84 177.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.432 ' HB1' ' NE2' ' A' ' 16' ' ' GLN . . . -84.08 -44.05 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.7 t70 179.95 105.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.96 136.1 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -145.83 179.27 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.506 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 2.4 p -153.21 162.21 41.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -123.18 126.82 47.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.443 HG21 ' CE2' ' A' ' 89' ' ' TYR . 17.1 t -105.52 127.32 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -91.48 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -98.71 91.21 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 30.4 m-20 -45.21 -46.88 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -126.14 8.37 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 44.02 73.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -154.15 -177.22 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.433 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 22.4 p90 -123.22 126.3 46.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.583 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -101.1 111.59 63.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 82.3 m-85 -106.85 137.77 44.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -64.37 179.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 3.1 ptpp? -72.0 -38.65 69.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -45.02 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 77.4 t90 -55.72 -39.94 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.506 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 7.8 mt -71.25 -54.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.479 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 37.1 mtmt -41.69 -29.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.415 ' N ' ' C ' ' A' ' 94' ' ' ILE . 9.3 mm-40 -81.55 -44.38 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -65.56 -57.6 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 3.0 tt -44.32 -45.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.1 t80 -59.49 -51.08 71.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 19.0 t -65.99 -30.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -57.57 -36.08 71.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 ' CD2' HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -78.51 -35.83 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -56.73 -49.17 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.9 ptm180 -73.91 -47.05 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.3 mt-30 -46.01 -33.24 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.21 -85.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.34 -70.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.85 -66.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.7 100.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.3 60.48 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.46 142.26 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.52 129.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.0 -125.43 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.89 156.78 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.95 49.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.2 m -139.17 146.64 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -97.08 146.6 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.516 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER 178.37 179.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.6 m170 66.18 -167.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.441 HG22 ' N ' ' A' ' 12' ' ' ILE . 1.9 m -96.95 155.43 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 14' ' ' LEU . 56.7 mt -121.08 124.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -119.04 122.04 41.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -124.25 172.1 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.439 HG22 ' CD1' ' A' ' 74' ' ' LEU . 0.9 OUTLIER -141.88 120.66 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' ALA . 36.9 tp60 -123.04 96.34 44.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.521 1.8 . . . . 0.0 111.015 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 73.2 p -116.9 -139.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -35.89 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -42.59 154.37 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -23.85 13.43 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.43 -34.81 59.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.9 -23.71 51.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -61.98 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.268 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -131.26 157.2 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.5 m-85 -142.83 162.71 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.08 174.85 9.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.56 118.3 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -119.39 -177.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -84.27 -59.08 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 33' ' ' ASN . 3.3 m -117.04 176.76 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 ' O ' ' N ' ' A' ' 35' ' ' CYS . 1.3 t -66.62 -52.9 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.515 ' CB ' ' CD1' ' A' ' 101' ' ' LEU . 0.4 OUTLIER -39.89 -49.31 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.27 -44.8 75.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' N ' ' O ' ' A' ' 32' ' ' VAL . 18.1 m -59.61 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.424 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.9 mmt -51.76 -59.0 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' OE1' ' CE ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -37.14 -61.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -37.53 -51.92 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.468 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 57.4 t -48.62 -45.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.484 ' HB2' ' CD1' ' A' ' 98' ' ' ILE . 1.0 OUTLIER -74.22 -42.03 60.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CE ' ' OE1' ' A' ' 37' ' ' GLU . 8.2 mmtt -52.72 -36.16 57.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.468 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -57.54 -66.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CE2' HD12 ' A' ' 47' ' ' LEU . 24.8 t80 -43.17 -51.87 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' TYR . 4.9 mt-10 -37.41 -50.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -48.8 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -49.16 -23.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -83.1 -48.14 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -38.22 -60.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -40.51 59.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.55 -41.45 72.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.97 100.43 52.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.29 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -58.67 -35.22 72.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -43.11 101.93 0.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -118.91 -0.55 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 HG22 ' CE2' ' A' ' 59' ' ' TYR . 0.9 OUTLIER 67.81 167.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.442 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -176.11 136.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 6.9 p90 -170.13 -171.19 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 142.22 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.411 HG23 ' N ' ' A' ' 62' ' ' SER . 0.0 OUTLIER -56.34 -40.48 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.411 ' N ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -71.85 -27.79 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -72.72 -19.51 61.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.569 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -83.95 -44.15 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.594 ' CD2' ' HB2' ' A' ' 95' ' ' LYS . 16.4 m-30 -65.67 -10.36 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.65 -25.79 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.4 -10.66 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 2.3 mt -78.08 -43.22 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.76 -18.21 61.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -40.96 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.4 mt -47.28 157.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -68.66 -33.36 73.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 174.06 110.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.439 ' CD1' HG22 ' A' ' 15' ' ' VAL . 3.4 tp -105.29 129.07 53.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.4 ' CA ' HD11 ' A' ' 94' ' ' ILE . 68.8 m -136.83 178.58 6.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.9 t -156.35 147.61 22.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.432 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.3 mm? -117.03 131.16 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.464 HG21 ' CG2' ' A' ' 32' ' ' VAL . 73.2 t -118.68 123.43 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 9' ' ' SER . 1.3 t80 -84.44 112.82 20.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 80' ' ' ARG . 5.6 ptp180 -113.5 115.95 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.71 -20.03 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.35 -47.64 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.3 p -118.88 -7.34 10.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.3 mm-40 59.43 64.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -164.38 161.0 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.525 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 41.0 p90 -105.24 113.75 27.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.48 113.4 41.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.432 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.99 107.94 2.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.776 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 26.4 m-85 -97.62 160.38 14.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.61 172.14 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -63.02 -26.57 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -73.89 -15.24 61.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.776 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 19.9 t90 -93.75 -21.71 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.4 HD12 ' CD2' ' A' ' 74' ' ' LEU . 44.4 mt -83.7 -53.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.594 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 10.9 ptpt -53.83 -19.6 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.459 ' CG ' ' O ' ' A' ' 92' ' ' ASP . 31.8 mm-40 -80.84 -46.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.561 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -64.87 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.484 ' CD1' ' HB2' ' A' ' 40' ' ' CYS . 13.4 tt -39.16 -55.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.498 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 1.8 t80 -48.56 -46.59 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.475 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 16.7 t -70.24 -36.22 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.515 ' CD1' ' CB ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -54.43 -29.1 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.437 HD11 ' N ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -82.79 -31.97 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.475 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 6.2 mmm180 -57.54 -55.15 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -69.55 -48.34 60.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -43.1 -32.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.7 -82.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -148.16 -68.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.62 -59.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.45 59.97 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.18 60.93 0.41 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -77.85 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -48.12 131.31 16.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.83 -158.27 8.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.18 142.98 47.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.62 157.63 17.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 m 55.78 165.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.48 172.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 66.1 m 59.2 162.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 9' ' ' SER . 10.9 m170 -168.59 179.5 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.409 ' OG1' ' CG2' ' A' ' 32' ' ' VAL . 6.6 m -97.94 147.82 24.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.459 HG23 ' CD1' ' A' ' 14' ' ' LEU . 22.9 mt -112.07 128.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.443 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.3 tm? -119.45 123.81 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.587 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -131.29 -177.75 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 t -152.72 140.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.447 ' NE2' ' O ' ' A' ' 18' ' ' THR . 38.7 tp60 -141.03 95.38 7.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -47.96 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 37.5 p -113.88 -149.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -33.83 6.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -64.05 153.7 84.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 98.13 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.81 33.45 1.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.5 ppt_? -135.96 152.37 50.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -169.94 161.51 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.587 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 7.6 m-85 -119.49 173.0 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.24 174.45 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.66 120.73 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -115.27 173.17 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -77.14 -35.58 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.4 156.55 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.409 ' CG2' ' OG1' ' A' ' 11' ' ' THR . 6.3 t -67.05 -46.59 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -50.08 -43.34 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.8 mm-40 -53.25 -43.15 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.3 m -55.29 -56.13 23.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.428 ' HG2' ' N ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -45.27 -50.88 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.98 -49.51 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.33 -27.27 46.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.422 ' O ' ' HB2' ' A' ' 42' ' ' MET . 48.1 t -76.69 -70.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.42 ' C ' ' O ' ' A' ' 39' ' ' VAL . 43.2 t -40.52 -49.96 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.2 mmtp -39.04 -50.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.431 ' C ' ' O ' ' A' ' 41' ' ' LYS . 49.3 mtm -34.4 -71.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -50.52 -53.63 28.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.29 -43.36 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -48.14 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . 0.404 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 8.1 t60 -67.62 -19.98 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.609 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.72 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.0 mp -86.12 -51.43 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' HG2' ' CD1' ' A' ' 57' ' ' ILE . 21.9 mttt -40.04 -57.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . 0.404 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -48.86 -39.37 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 mmm -79.38 -36.77 38.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -123.69 97.14 42.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.2 p30 -41.56 -29.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 27.0 p -37.53 102.66 0.24 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -121.07 -3.75 9.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.47 HG21 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 62.13 166.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.47 ' N ' HG21 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.6 133.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.72 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 3.1 p90 -160.46 -52.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 1.7 m-20 156.69 162.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.501 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -91.02 -39.77 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -49.27 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.24 -39.24 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.406 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -64.64 -49.63 70.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.6 m-30 -54.47 -22.75 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -57.34 -28.16 62.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.21 -30.33 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 14.8 mt -58.36 -35.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -48.02 68.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -42.99 -41.24 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.3 mt -53.34 171.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.44 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -79.8 -46.16 17.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.2 t70 178.19 120.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.41 ' CB ' ' HB3' ' A' ' 91' ' ' LYS . 1.1 tp -98.04 142.38 29.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -145.29 177.12 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.595 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.5 p -158.25 163.97 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -123.13 116.49 23.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.1 t -106.08 127.21 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.402 ' CZ ' ' HB1' ' A' ' 81' ' ' ALA . 14.3 t80 -80.51 144.42 32.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CZ ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -142.78 81.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.402 ' HB1' ' CZ ' ' A' ' 79' ' ' TYR . . . -44.45 -29.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -42.41 -43.2 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.5 ' OG1' ' CZ ' ' A' ' 80' ' ' ARG . 80.8 p -125.22 0.57 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 52.08 74.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -165.32 175.37 9.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 26.2 p90 -118.6 116.43 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.515 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -92.14 113.68 59.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 16.0 m-30 -100.34 178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.15 -169.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.9 OUTLIER -82.81 -33.72 27.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.13 -34.43 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.602 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 56.8 t90 -70.89 -31.36 67.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.503 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 10.8 mt -77.87 -53.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.469 ' O ' ' CZ ' ' A' ' 65' ' ' PHE . 38.1 mtmt -40.28 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.449 ' N ' ' C ' ' A' ' 94' ' ' ILE . 5.7 mm-40 -78.77 -63.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.602 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -45.19 -50.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.503 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 6.2 tt -57.3 -41.37 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.618 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -67.37 -57.42 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.618 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 5.5 p -62.58 -25.11 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.9 OUTLIER -56.95 -35.13 68.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -85.56 -33.65 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.492 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 4.3 mmm180 -55.9 -43.28 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 4.5 ptm180 -76.54 -48.07 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 3.2 mt-30 -44.8 -34.43 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.36 -70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.79 -75.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER 72.44 -69.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 74.59 -58.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.08 91.44 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -177.34 148.95 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.0 137.18 54.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.33 -162.05 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.14 109.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.69 95.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -146.16 147.33 31.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -144.8 175.29 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -131.9 125.45 31.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -124.39 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.423 ' CG2' ' SG ' ' A' ' 35' ' ' CYS . 96.4 m -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.391 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.465 HG21 ' CD1' ' A' ' 14' ' ' LEU . 28.7 mt -130.44 128.81 64.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.5 tm? -119.32 127.94 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.551 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -131.42 -179.61 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 t -156.35 131.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.454 ' O ' ' N ' ' A' ' 72' ' ' ALA . 34.9 tp60 -134.69 95.17 16.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.416 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 70.7 p -113.64 -141.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -38.79 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -46.82 146.76 2.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.48 37.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.96 33.83 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -136.9 116.2 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -142.05 144.86 33.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.551 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 4.6 m-85 -112.74 152.87 28.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -132.27 175.81 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -142.15 145.04 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.556 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 69.1 m-85 -134.75 -178.4 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.78 -30.13 12.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 161.03 34.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.473 HG11 ' CE ' ' A' ' 36' ' ' MET . 2.2 t -66.47 -46.1 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 24.8 m-20 -49.72 -49.21 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.69 -36.94 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.556 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 4.9 t -58.86 -54.03 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.254 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.473 ' CE ' HG11 ' A' ' 32' ' ' VAL . 2.6 tpp -66.01 -41.29 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.3 tt0 -37.27 -58.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 41' ' ' LYS . . . -37.47 -57.49 1.47 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.0 t -41.58 -61.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 t -44.12 -48.01 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.2 mttt -48.72 -57.86 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.44 ' C ' ' O ' ' A' ' 41' ' ' LYS . 35.4 mtm -34.76 -66.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.527 ' CZ ' ' HA ' ' A' ' 64' ' ' LEU . 68.8 t80 -54.96 -55.5 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.0 mt-10 -40.98 -46.27 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' LEU . 4.6 mm-40 -47.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -46.49 -25.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.669 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.8 mp -83.71 -47.18 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -38.82 -60.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.57 57.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -71.03 -40.67 71.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.417 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 3.1 m-80 -117.6 103.7 50.5 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -53.51 -35.57 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.5 OUTLIER -40.45 100.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.66 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -125.43 1.11 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.452 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.59 167.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.452 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -173.92 132.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -170.59 -169.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 69.6 m-20 -79.63 112.44 16.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 1.1 tt -45.64 -32.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -46.71 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 1.5 tp60 -53.22 -32.27 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.527 ' HA ' ' CZ ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -62.94 -39.06 93.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.423 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 16.3 m-30 -67.3 -27.57 67.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.45 -22.24 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.93 -29.01 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.425 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 5.9 mt -64.47 -42.88 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.21 86.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.32 -44.31 68.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.5 mt -46.8 159.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -71.34 -28.44 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 t0 164.97 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.0 tp -100.49 143.7 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.4 m -144.45 179.3 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.598 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 3.3 p -157.71 160.97 38.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -125.41 115.9 21.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.484 HG22 ' CD2' ' A' ' 89' ' ' TYR . 70.5 t -98.14 124.23 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -90.27 115.39 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLN . 11.3 ptm180 -112.96 120.6 41.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.07 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.94 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -40.88 -51.33 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -122.91 -1.68 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.6 mm-40 55.82 68.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.5 t -155.89 160.93 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.489 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 34.3 p90 -106.39 119.67 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.614 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 3.2 mm100 -97.54 115.97 65.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.0 m-30 -98.79 -179.62 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -107.53 163.93 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.467 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 1.1 pttt -52.82 -35.95 57.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.44 -39.04 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.598 ' CE3' ' SG ' ' A' ' 76' ' ' CYS . 31.9 t90 -70.9 -26.66 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.517 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 29.5 mt -79.93 -56.14 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.51 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 36.6 mtmt -40.16 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.451 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 6.1 mm-40 -76.05 -65.13 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -46.75 -55.03 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.517 ' CG2' ' O ' ' A' ' 94' ' ' ILE . 6.9 tt -50.41 -44.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.627 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.88 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.627 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -58.1 -24.07 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.0 OUTLIER -62.29 -37.72 86.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.511 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -81.6 -32.29 32.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -56.2 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -61.76 -45.71 92.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -37.02 -38.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.92 -77.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -143.67 -94.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 51.01 -169.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 55.99 84.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.98 59.33 1.79 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.9 pttp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 m -146.34 113.92 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -137.36 125.8 23.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.97 -134.86 6.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.54 98.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -142.14 106.53 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m -121.36 152.23 39.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtm -102.07 157.14 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 p -115.99 113.32 23.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -122.16 -66.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.477 HG23 ' CB ' ' A' ' 35' ' ' CYS . 74.0 m -91.37 141.57 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 44.6 mt -111.27 126.88 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.429 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.7 OUTLIER -120.31 126.28 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.574 ' HB3' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.54 -178.38 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.462 HG23 ' CD1' ' A' ' 74' ' ' LEU . 1.0 OUTLIER -152.7 130.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.456 ' NE2' ' O ' ' A' ' 18' ' ' THR . 38.9 tp60 -134.12 95.29 16.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -49.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 61.9 p -112.84 -151.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.34 -40.37 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -57.45 153.88 26.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' CA ' ' HD3' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -7.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 89.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.42 34.99 1.04 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HD3' ' CA ' ' A' ' 21' ' ' PRO . 23.2 ptt85 -112.19 134.44 53.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -163.54 158.66 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -134.58 163.98 28.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -134.64 170.6 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -133.23 134.81 44.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.417 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 79.7 m-85 -130.22 178.0 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.92 -44.02 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.68 159.65 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.71 -50.58 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.464 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 46.0 m-20 -51.05 -50.76 58.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -48.66 -36.44 16.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' CB ' HG23 ' A' ' 11' ' ' THR . 1.6 t -72.13 -38.11 69.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.417 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.3 mmt -61.15 -49.71 76.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.1 mt-10 -37.69 -65.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -36.24 -57.54 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.445 ' HA ' ' SD ' ' A' ' 42' ' ' MET . 98.1 t -42.49 -46.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.467 ' N ' ' O ' ' A' ' 37' ' ' GLU . 8.5 t -70.61 -38.53 73.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' GLY . 19.0 mttm -53.37 -51.15 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.445 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -36.56 -63.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CD1' ' HA ' ' A' ' 64' ' ' LEU . 39.7 t80 -61.52 -45.95 92.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.406 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 3.4 mt-10 -42.66 -41.0 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.91 -62.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.566 HD11 ' CE2' ' A' ' 43' ' ' TYR . 5.9 mp -84.81 -49.17 8.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.71 -62.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -40.6 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -72.29 -40.87 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 54' ' ' SER . 1.2 m-80 -122.22 101.68 40.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -60.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -46.72 -31.46 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.1 p -40.63 101.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.0 m -123.68 -1.47 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.479 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 66.44 167.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.479 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.34 128.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.9 p90 -172.57 177.99 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 164.61 14.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.701 ' CG2' ' CE2' ' A' ' 65' ' ' PHE . 1.5 mt -91.5 -46.37 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -53.13 -31.58 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -40.28 96.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.569 ' HA ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -76.92 -46.38 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.701 ' CE2' ' CG2' ' A' ' 61' ' ' ILE . 14.2 m-30 -59.01 -24.52 62.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -24.36 67.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.93 -18.68 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 21.5 mt -67.76 -49.04 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.4 -30.71 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.6 -39.86 85.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.0 mt -49.0 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.447 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -86.06 -31.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 t70 168.64 107.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' CD1' HG23 ' A' ' 15' ' ' VAL . 9.6 tp -102.03 137.67 40.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -148.32 179.57 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 6.7 p -154.27 160.94 42.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -122.65 125.54 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.573 HG23 ' CE2' ' A' ' 89' ' ' TYR . 20.7 t -103.77 132.02 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.62 113.25 25.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -109.71 112.57 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.67 -18.46 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -49.71 -52.77 28.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.8 p -128.0 15.16 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 39.46 61.42 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.4 t -135.85 -160.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . . . . . . . . . 15.8 p90 -134.36 133.9 41.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -105.36 111.84 64.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.39 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 73.4 m-85 -107.97 147.16 31.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.55 168.09 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.0 ptmt -60.76 -34.87 75.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -49.26 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.598 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 75.2 t90 -52.05 -42.32 63.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.512 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 6.8 mt -68.15 -54.44 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.472 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 32.5 mtmt -37.87 -32.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 94' ' ' ILE . 39.8 mm-40 -78.33 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.598 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -50.18 -51.41 44.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.474 HG22 ' O ' ' A' ' 94' ' ' ILE . 14.1 tt -55.27 -48.94 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.8 t80 -60.21 -50.45 73.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.98 -11.67 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -82.92 -23.94 33.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 105' ' ' GLN . 0.5 OUTLIER -88.4 -51.12 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 11.4 mmm180 -35.57 -42.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 7.7 ptm180 -78.27 -44.35 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.9 mm-40 -42.21 -37.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -142.01 -75.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 74.6 -72.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 48.87 65.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 41.77 47.27 5.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -169.5 150.69 4.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -174.42 165.11 3.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.37 -86.93 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.51 173.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.44 168.06 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -73.49 144.34 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mmt -131.56 -179.05 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -55.16 -44.55 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . 6.7 m80 54.68 104.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -123.59 163.03 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.477 HG21 ' CD1' ' A' ' 14' ' ' LEU . 65.5 mt -123.15 119.24 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -119.24 123.64 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.563 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.46 -170.84 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.4 t -157.12 123.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.462 ' O ' ' N ' ' A' ' 72' ' ' ALA . 24.6 tp60 -124.74 95.8 41.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -47.75 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -119.79 -140.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -37.88 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -51.68 153.86 3.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -8.05 19.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.83 84.03 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.66 -42.89 1.08 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 10.7 mtt180 -41.94 109.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.325 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 t -143.06 143.82 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.563 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 8.7 m-85 -119.05 168.49 10.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.5 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.81 121.58 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.588 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 28.7 m-85 -121.02 -178.45 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.2 -21.38 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.06 179.24 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.52 -47.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -52.61 -38.98 61.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.36 -41.57 97.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.588 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 3.6 m -61.12 -44.77 96.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.459 ' O ' ' N ' ' A' ' 39' ' ' VAL . 15.5 mmt -50.64 -50.36 54.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -37.3 -59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.81 -39.85 1.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' MET . 50.0 t -65.97 -47.55 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.455 ' N ' ' O ' ' A' ' 37' ' ' GLU . 6.9 t -66.26 -34.76 78.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . 24.3 mmtt -57.34 -52.1 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.425 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -37.57 -66.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.522 ' CE1' ' HA ' ' A' ' 64' ' ' LEU . 11.9 t80 -53.03 -49.94 65.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -45.58 -48.44 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.36 -66.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -52.58 -20.49 3.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.1 mp -81.48 -49.86 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.21 -61.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -41.36 49.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.83 -42.08 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 2.3 m-80 -114.99 97.66 48.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -63.52 -32.61 74.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -42.0 103.49 0.31 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m -120.97 0.9 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.46 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.22 168.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.46 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.52 133.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.7 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 31.1 p90 -174.91 157.22 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.64 154.75 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.575 ' CG2' ' CE2' ' A' ' 65' ' ' PHE . 1.8 mt -72.49 -46.92 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.1 p -52.82 -26.77 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -42.69 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.522 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -71.25 -36.72 71.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.575 ' CE2' ' CG2' ' A' ' 61' ' ' ILE . 14.6 m-30 -73.78 -23.74 59.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.29 -21.56 66.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -19.7 19.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 22.9 mt -66.18 -32.65 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.79 -18.8 58.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.37 161.59 30.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -70.46 -40.36 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t70 177.57 104.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.442 ' CD2' HD12 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -98.94 127.39 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 m -139.43 178.76 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.508 ' SG ' ' CZ3' ' A' ' 93' ' ' TRP . 22.9 p -155.56 145.78 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -114.63 134.48 55.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.75 138.77 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.4 129.67 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 7.9 ptm180 -124.09 104.55 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.95 -19.8 33.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -47.66 -56.19 7.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -120.74 0.04 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mt-30 57.33 79.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.1 t -168.26 168.86 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.54 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 36.6 p90 -105.09 113.57 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 4.3 tm0? -84.67 113.22 47.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 49.6 m-85 -119.09 119.9 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.402 ' HA ' ' CD1' ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.85 -40.28 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -50.52 -32.98 19.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.564 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 80.5 t90 -70.11 -43.87 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 97' ' ' LYS . 15.5 mt -61.89 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.494 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 34.3 mtmt -37.06 -38.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . . . . . . . . . 36.8 mm-40 -69.41 -53.11 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.564 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -58.34 -62.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.494 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 15.0 tt -42.83 -50.96 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 103' ' ' ARG . 2.7 t80 -56.69 -49.22 75.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 48.0 t -67.65 -12.76 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.415 ' O ' ' HG3' ' A' ' 105' ' ' GLN . 0.1 OUTLIER -83.92 -23.77 31.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.464 HD12 ' CD1' ' A' ' 61' ' ' ILE . 0.6 OUTLIER -88.14 -51.13 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 15.3 mmm180 -34.08 -46.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 ptm180 -74.22 -46.62 40.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.6 mt-30 -39.85 -51.23 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.82 -92.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.32 -101.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.34 -71.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.02 105.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -97.0 64.5 0.99 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.13 101.33 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.07 119.15 38.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.37 153.35 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.27 74.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.69 100.31 5.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.2 p -110.35 118.68 36.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.402 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtm -47.21 158.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 33.8 t -140.14 -69.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.597 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 21.5 m170 -150.25 -73.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.56 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.6 m -93.38 150.16 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.444 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.466 HG22 ' CD1' ' A' ' 14' ' ' LEU . 14.5 mt -121.62 126.02 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.408 ' C ' ' CD1' ' A' ' 14' ' ' LEU . 1.9 tm? -121.44 127.44 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.466 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -128.31 -172.31 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -158.74 122.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.45 ' O ' ' N ' ' A' ' 72' ' ' ALA . 40.5 tp60 -125.21 96.33 39.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.417 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.03 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 66.1 p -108.99 -147.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -29.34 8.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -64.34 148.79 95.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 -9.12 20.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.09 95.89 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.25 -8.75 5.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 18.0 ptt180 -79.59 133.93 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.346 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 14.7 t -147.47 153.71 39.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 11.0 m-85 -126.5 148.03 49.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.61 176.57 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.97 117.41 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -119.5 -179.75 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.11 -32.97 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 164.98 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.47 HG12 ' CE ' ' A' ' 36' ' ' MET . 3.7 t -77.72 -45.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.3 p-10 -49.13 -37.63 22.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.7 t -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.47 ' CE ' HG12 ' A' ' 32' ' ' VAL . 0.0 OUTLIER -39.47 -57.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.61 -57.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.71 -34.78 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 73.8 t -80.53 -66.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.362 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.471 ' CB ' HD12 ' A' ' 98' ' ' ILE . 2.6 t -41.62 -47.25 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' MET . 16.7 mmmt -43.9 -52.89 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.446 ' C ' ' O ' ' A' ' 41' ' ' LYS . 32.0 mtm -34.28 -69.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.512 ' CZ ' ' HA ' ' A' ' 64' ' ' LEU . 17.3 t80 -53.72 -47.46 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.17 -43.82 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.26 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -49.83 -22.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.587 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.2 mp -83.69 -47.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.59 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -41.46 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.67 -32.48 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -132.16 101.07 15.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -60.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -46.94 -31.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.7 p -41.2 101.59 0.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -124.18 -0.89 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.61 167.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.464 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -170.42 135.03 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 9.0 p90 -172.2 -174.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 61.8 m-20 -79.8 133.87 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.491 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -67.46 -23.32 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.37 -32.8 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 14.0 tp60 -73.06 -23.54 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.513 ' CD1' ' C ' ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.06 -42.0 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.422 ' CE1' HG23 ' A' ' 98' ' ' ILE . 13.0 m-30 -66.1 -18.66 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.85 -19.23 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -34.29 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 33.8 mt -52.5 -39.86 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.43 -42.95 82.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -43.57 -37.09 2.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -54.83 161.47 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -76.93 -30.6 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.16 104.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 3.7 tp -98.42 142.15 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -147.39 178.93 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.514 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 4.7 p -156.13 166.91 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.477 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 1.8 mm? -128.16 134.95 49.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.0 t -113.4 123.89 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CD2' ' CD2' ' A' ' 10' ' ' HIS . 5.6 t80 -88.94 118.34 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -116.92 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.09 -27.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 -39.44 58.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.7 p -124.84 5.73 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER 40.01 76.19 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -167.43 164.73 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.407 ' O ' ' CG ' ' A' ' 86' ' ' TYR . 18.0 p90 -109.99 132.77 53.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.593 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.9 mm100 -106.58 112.82 63.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.02 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.593 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 79.4 m-85 -107.51 126.1 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -61.32 176.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 1.0 OUTLIER -67.39 -39.92 85.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -49.44 -28.01 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.589 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 60.8 t90 -75.96 -57.24 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 107.982 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.514 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 5.4 mt -49.97 -39.89 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.4 mtmt -56.03 -38.59 70.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.472 ' O ' HG13 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -74.3 -12.46 60.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -99.11 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.476 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 3.6 tt -39.4 -47.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.616 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -54.18 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.616 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 3.3 p -62.38 -34.8 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.45 ' CD2' ' HB3' ' A' ' 36' ' ' MET . 1.0 OUTLIER -51.57 -44.58 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD12 ' N ' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -73.76 -41.38 62.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -55.6 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.4 ptt180 -65.91 -38.96 90.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -48.4 -35.99 13.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.84 -93.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -121.8 -100.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.07 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.69 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 119.04 67.06 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -97.82 118.71 34.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 75.06 -60.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.61 -166.36 38.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.0 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 47.62 90.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 p -86.8 140.74 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -69.25 165.92 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 t 58.31 167.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -169.86 88.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.553 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 7.0 m -90.94 138.79 31.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.413 HG21 ' CD1' ' A' ' 14' ' ' LEU . 13.5 mt -108.25 123.18 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.437 ' O ' ' N ' ' A' ' 27' ' ' ALA . 0.8 OUTLIER -119.14 123.23 43.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.549 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -124.36 175.64 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.415 ' CG2' HD12 ' A' ' 74' ' ' LEU . 1.2 t -147.86 128.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.47 ' NE2' ' HD2' ' A' ' 17' ' ' PRO . 35.0 tp60 -127.04 97.67 31.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.2 Cg_endo -74.97 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 72.3 p -121.44 -141.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -37.71 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -57.85 149.95 51.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.89 21.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 pt-20 -72.84 86.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 -19.31 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -74.21 125.12 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.323 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -147.9 141.5 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.549 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 7.2 m-85 -108.25 164.27 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.453 ' HB1' ' CE2' ' A' ' 29' ' ' TYR . . . -135.81 177.24 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.25 137.4 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . 0.453 ' CE2' ' HB1' ' A' ' 27' ' ' ALA . 99.7 m-85 -146.4 174.55 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -114.72 -37.34 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.41 135.04 42.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.466 HG11 ' CE ' ' A' ' 36' ' ' MET . 41.3 t -52.4 -40.27 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.57 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 66.6 mm-40 -38.37 -46.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 39.8 t -57.2 -54.86 42.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.475 ' CG ' ' HB3' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -50.52 -60.56 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -38.58 -60.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.41 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.405 ' HB ' ' O ' ' A' ' 36' ' ' MET . 41.9 t -68.78 -58.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.7 t -47.77 -44.96 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -46.88 -53.53 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.436 ' C ' ' O ' ' A' ' 41' ' ' LYS . 17.4 mtm -34.71 -72.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.572 ' CE1' ' HA ' ' A' ' 64' ' ' LEU . 29.9 t80 -50.6 -46.15 57.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.1 -46.82 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.76 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -49.39 -23.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.695 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.4 mp -82.48 -48.38 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.33 -61.81 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -41.76 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.43 -42.06 75.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -117.02 103.07 52.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -54.11 -36.31 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.78 99.67 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -123.59 0.47 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.455 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.43 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.455 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.09 130.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.695 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.5 p90 -171.26 177.84 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.68 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.429 HD12 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -61.86 -40.43 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -21.56 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -88.35 -44.56 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.572 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -49.6 -49.06 48.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.408 ' CE1' HG23 ' A' ' 98' ' ' ILE . 18.1 m-30 -64.54 -28.0 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -25.11 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.17 -28.92 18.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . . . . . . . . . 18.2 mt -60.87 -36.26 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -69.45 -40.09 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.11 -39.32 63.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 31.4 mt -53.29 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.469 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.06 -39.55 49.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.6 t70 173.27 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.441 ' HB3' ' CB ' ' A' ' 91' ' ' LYS . 4.8 tp -104.74 132.18 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.463 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 0.1 OUTLIER -142.12 170.73 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.5 p -158.36 162.88 37.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.279 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.478 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.5 mm? -130.64 139.01 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.85 130.9 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -95.84 118.16 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLN . 1.4 ptp180 -117.98 116.42 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -11.11 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -48.46 80.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.9 p -118.61 -3.67 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.9 mm-40 53.75 61.35 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -153.9 165.32 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.563 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 33.6 p90 -104.57 113.48 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.622 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.58 113.54 49.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.478 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 75.2 m-85 -130.08 132.22 46.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.69 175.34 2.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.441 ' CB ' ' HB3' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -61.46 -40.81 95.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -47.89 50.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.609 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 57.9 t90 -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.043 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.433 ' O ' HG22 ' A' ' 98' ' ' ILE . 4.1 mt -66.94 -53.95 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 94' ' ' ILE . 26.4 mtmt -39.23 -33.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.409 ' N ' ' C ' ' A' ' 94' ' ' ILE . 5.2 mm-40 -79.87 -55.66 4.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -50.97 -58.97 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.433 HG22 ' O ' ' A' ' 94' ' ' ILE . 19.4 tt -39.17 -58.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.429 ' HA ' HD12 ' A' ' 61' ' ' ILE . 6.5 t80 -53.32 -51.45 62.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 67.2 t -61.45 -24.28 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD1' ' OD1' ' A' ' 33' ' ' ASN . 0.0 OUTLIER -74.34 -31.95 62.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.43 ' N ' HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -78.78 -33.33 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.425 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 17.1 mmm180 -53.96 -52.82 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.4 ptm180 -69.61 -48.07 61.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.428 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.3 mt-30 -46.56 -40.72 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.87 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -142.68 -77.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 76.38 -67.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.38 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.09 54.1 39.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 74.93 -59.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 48.15 74.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.82 105.71 0.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.64 103.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -139.58 125.89 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.4 p -80.06 145.04 32.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.96 145.14 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.571 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER 169.06 -178.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.1 m170 63.12 173.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.466 HG21 ' CB ' ' A' ' 35' ' ' CYS . 88.4 m -91.66 131.17 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.467 HG22 ' CD1' ' A' ' 14' ' ' LEU . 26.4 mt -97.9 124.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -121.16 124.1 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.568 ' HB3' ' CD1' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -132.06 -173.7 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.7 t -156.3 142.47 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ALA . 23.6 tp60 -143.94 95.02 5.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.469 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.94 -49.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 73.2 p -109.71 -142.33 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.48 33.49 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -111.28 148.43 38.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.98 21.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -86.12 -8.57 57.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.13 63.34 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.32 101.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -123.57 148.81 46.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.568 ' CD1' ' HB3' ' A' ' 14' ' ' LEU . 3.8 m-85 -109.84 164.98 12.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.06 177.29 9.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.2 135.49 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -125.84 173.47 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -82.47 -56.72 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.14 160.81 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.31 -48.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 36.7 m-20 -48.04 -44.31 31.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -60.47 -42.78 96.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.466 ' CB ' HG21 ' A' ' 11' ' ' THR . 5.9 t -55.88 -35.8 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.403 ' O ' ' C ' ' A' ' 37' ' ' GLU . 15.9 mmt -67.63 -48.6 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -38.2 -69.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.49 -58.43 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.7 t -45.29 -49.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLU . 44.3 t -61.38 -42.37 98.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' MET . 12.5 mttt -50.42 -51.25 48.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.427 ' C ' ' O ' ' A' ' 41' ' ' LYS . 22.2 mtm -35.11 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.563 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 41.1 t80 -52.9 -45.0 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.21 -44.83 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.58 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -53.21 -20.44 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -38.68 -61.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -39.68 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -73.34 -41.91 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -113.69 107.46 52.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -75.01 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -38.65 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -36.62 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -75.02 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -124.89 0.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.457 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 68.11 168.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.457 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.6 OUTLIER -172.34 133.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.3 p90 -169.74 -173.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 83.0 m-20 -82.5 119.87 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.469 ' CD1' ' HA ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -45.16 -37.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . 0.4 ' N ' HG22 ' A' ' 61' ' ' ILE . 0.4 OUTLIER -67.44 -42.28 83.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 8.9 mm-40 -57.76 -36.91 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.563 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -59.08 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.481 ' CE1' HG22 ' A' ' 98' ' ' ILE . 17.9 m-30 -66.64 -20.02 65.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.4 -20.68 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -95.49 -37.4 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.476 ' CG2' ' HE2' ' A' ' 91' ' ' LYS . 11.7 mt -50.52 -54.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.51 -34.76 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' PHE . 18.2 t0 -56.47 -42.28 77.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 97.5 mt -47.08 161.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.47 ' CB ' ' O ' ' A' ' 18' ' ' THR . . . -77.52 -35.22 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 170.04 107.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.0 tp -97.88 147.92 23.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -145.76 179.02 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.545 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 2.1 p -157.95 158.26 34.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -125.19 124.33 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.6 t -111.06 132.02 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.571 ' CD2' ' HA ' ' A' ' 9' ' ' SER . 13.5 t80 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -108.7 110.93 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.93 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -43.36 -55.27 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 66.2 p -127.47 16.31 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 40.23 65.45 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 3.7 t -143.95 167.55 22.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.522 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 29.0 p90 -105.24 118.9 37.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.4 mm100 -93.03 112.25 55.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 69.8 m-85 -110.94 133.3 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.476 ' HE2' ' CG2' ' A' ' 68' ' ' ILE . 6.3 ptmt -88.18 -31.46 19.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.453 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 1.3 t0 -60.78 -26.61 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.606 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 82.4 t90 -75.52 -32.84 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.545 ' CG1' ' SG ' ' A' ' 76' ' ' CYS . 30.0 mt -72.05 -56.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.49 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.8 mtmt -38.42 -36.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.457 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 8.5 mm-40 -66.03 -62.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -48.3 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.496 ' O ' ' CD2' ' A' ' 102' ' ' LEU . 10.6 tt -39.1 -47.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.619 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -62.87 -67.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.619 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -54.54 -19.91 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -69.75 -40.24 76.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.496 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -77.14 -30.51 55.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.475 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -66.1 -47.46 74.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -35.95 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.26 -26.67 61.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.27 -65.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 109' ' ' ALA . 34.8 mt-30 -151.76 -84.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 109' ' ' ALA . 32.3 tp60 65.66 -66.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -144.32 93.09 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -100.67 54.46 0.85 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -87.57 102.52 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -166.83 160.57 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 -78.02 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.88 139.11 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.9 172.49 13.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -84.03 150.67 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -105.28 137.91 42.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -178.6 -47.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 0.6 OUTLIER 62.41 93.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.512 ' CG2' ' SG ' ' A' ' 76' ' ' CYS . 1.8 m -110.98 144.11 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.47 HG21 ' CD1' ' A' ' 14' ' ' LEU . 25.9 mt -98.1 122.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 27' ' ' ALA . 1.1 tm? -119.69 125.61 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . 0.586 ' CD1' ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.17 -169.98 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . 0.487 HG22 ' CD1' ' A' ' 74' ' ' LEU . 1.7 t -158.47 124.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.458 ' NE2' ' O ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -126.8 87.28 56.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -37.42 2.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.2 p -146.6 161.44 40.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -31.96 71.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 151.57 68.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.93 -8.58 20.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.94 85.23 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.57 39.36 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.0 130.94 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t -173.21 153.75 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.586 ' CD2' ' CD1' ' A' ' 14' ' ' LEU . 6.0 m-85 -116.13 175.6 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.53 171.75 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -152.02 133.25 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.6 -20.25 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -179.85 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' VAL . . . . . 0.467 ' CG2' ' OG1' ' A' ' 11' ' ' THR . 2.6 t -91.86 -46.43 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASN . . . . . 0.47 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.6 p-10 -51.68 -35.36 42.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.4 -37.72 87.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.27 -45.15 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' MET . . . . . 0.457 ' O ' ' N ' ' A' ' 39' ' ' VAL . 14.8 mmt -55.35 -53.12 60.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' O ' ' SG ' ' A' ' 40' ' ' CYS . 2.7 tt0 -38.39 -52.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' HA2' ' CD ' ' A' ' 41' ' ' LYS . . . -50.22 -42.07 40.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.457 ' N ' ' O ' ' A' ' 36' ' ' MET . 75.5 t -59.45 -27.14 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.421 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -90.48 -20.31 22.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' CD ' ' HA2' ' A' ' 38' ' ' GLY . 14.4 mttm -64.71 -69.87 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' MET . . . . . 0.472 ' HG3' ' N ' ' A' ' 43' ' ' TYR . 5.7 ptp -35.79 -33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.574 ' CE1' ' HA ' ' A' ' 64' ' ' LEU . 58.4 t80 -77.93 -61.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.17 -33.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.85 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -46.5 -25.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.3 mp -84.28 -48.13 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.85 -61.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -42.57 31.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -72.28 -31.89 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.9 m-80 -131.53 102.71 15.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -61.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' SER . 27.9 m-80 -45.82 -34.04 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 25.9 p -38.38 99.13 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -74.96 -44.46 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' ' HA3' ' A' ' 110' ' ' GLY . 43.3 t -123.97 -1.47 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.466 ' CG2' ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.38 167.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' THR . . . . . 0.466 ' N ' ' CG2' ' A' ' 57' ' ' ILE . 0.7 OUTLIER -171.94 136.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 5.3 p90 -167.57 -170.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -90.13 132.11 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.59 HG22 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -56.47 -34.6 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -68.34 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -81.63 -58.13 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.574 ' HA ' ' CE1' ' A' ' 43' ' ' TYR . 0.4 OUTLIER -45.56 -47.8 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 14.9 m-30 -65.82 -30.62 71.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' GLN . 1.4 t0 -51.86 -23.85 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -94.32 -38.89 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 4.5 mt -45.1 -41.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.69 -41.62 82.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' PHE . 22.0 t70 -47.38 -45.6 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 52.6 mt -47.61 171.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.502 ' O ' ' CB ' ' A' ' 73' ' ' ASP . . . -84.01 -25.12 30.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER 155.99 119.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.487 ' CD1' HG22 ' A' ' 15' ' ' VAL . 9.5 tp -97.93 129.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . 0.477 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 1.6 m -131.02 162.98 28.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 10.5 t -151.87 151.7 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.476 ' CD1' ' HA ' ' A' ' 88' ' ' PRO . 2.2 mm? -118.27 138.97 52.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.513 HG22 ' CH2' ' A' ' 93' ' ' TRP . 7.2 t -116.34 158.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' TYR . . . . . 0.509 ' CZ ' ' HB3' ' A' ' 81' ' ' ALA . 4.3 t80 -78.62 140.05 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.716 ' H ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -146.64 55.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ALA . . . . . 0.509 ' HB3' ' CZ ' ' A' ' 79' ' ' TYR . . . -38.04 -31.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 80' ' ' ARG . 11.3 m-20 -40.23 -42.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.4 ' CG2' HG21 ' A' ' 85' ' ' THR . 0.1 OUTLIER -118.62 -22.17 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.27 53.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' THR . . . . . 0.554 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 1.7 t -131.06 -119.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' TYR . . . . . 0.554 ' N ' ' OG1' ' A' ' 85' ' ' THR . 4.2 p90 -161.09 128.16 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -104.4 104.46 44.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.476 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 148.89 36.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 96.5 m-85 -147.36 121.26 9.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.25 -177.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.478 ' HG3' ' N ' ' A' ' 92' ' ' ASP . 3.2 ptpp? -72.02 -37.63 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -48.03 -48.6 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' TRP . . . . . 0.525 ' NE1' ' NZ ' ' A' ' 97' ' ' LYS . 77.4 t90 -56.76 -42.71 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ILE . . . . . 0.474 ' O ' ' CG2' ' A' ' 98' ' ' ILE . 10.2 mt -65.67 -56.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LYS . . . . . 0.487 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 42.1 mtmt -43.14 -39.39 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLU . . . . . 0.421 ' O ' ' CG2' ' A' ' 100' ' ' VAL . 19.0 mm-40 -66.84 -46.6 74.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.525 ' NZ ' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -64.41 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ILE . . . . . 0.487 ' CG2' ' HA ' ' A' ' 95' ' ' LYS . 2.6 tt -39.51 -44.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' TYR . . . . . 0.59 ' CD2' HG22 ' A' ' 61' ' ' ILE . 2.2 t80 -60.75 -47.41 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' VAL . . . . . 0.468 ' HA ' ' CG ' ' A' ' 103' ' ' ARG . 39.7 t -69.92 -28.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -57.64 -34.01 68.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.425 ' CD2' ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.65 -29.29 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 22.2 mmm180 -60.3 -50.83 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.05 -44.13 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLN . . . . . 0.51 ' O ' ' CB ' ' A' ' 106' ' ' ALA . 15.6 mt-30 -46.2 -89.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.51 ' CB ' ' O ' ' A' ' 105' ' ' GLN . . . 84.44 -48.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' GLN . 34.5 mt-30 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' GLN . 1.0 OUTLIER -37.49 -50.0 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . 0.489 ' CB ' ' OE1' ' A' ' 105' ' ' GLN . . . -41.0 -55.59 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLY . . . . . 0.469 ' HA3' ' CB ' ' A' ' 56' ' ' SER . . . 175.84 -77.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.831 HG22 ' CD1' ' A' ' 14' ' ' LEU . 12.6 mt -125.97 132.8 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.864 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -119.2 125.13 48.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.045 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -129.79 163.22 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.769 HG22 HD11 ' A' ' 74' ' ' LEU . 2.0 t -139.97 130.52 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.702 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 40.5 tp60 -131.97 95.62 21.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.92 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 39.5 p -116.33 -145.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -27.91 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -58.63 152.21 47.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.89 8.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.49 99.44 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.01 -28.65 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -87.66 131.33 34.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 t -141.5 152.21 43.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 1.045 ' CD2' HD12 ' A' ' 14' ' ' LEU . 5.7 m-85 -115.04 154.92 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -131.51 177.45 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -137.32 141.04 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 95.6 m-85 -143.55 176.34 9.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.12 -52.47 3.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -100.3 163.86 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG13 ' CE ' ' A' ' 36' ' ' MET . 3.2 t -70.45 -47.74 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.549 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -48.2 -54.25 14.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 56.6 mm-40 -49.53 -54.3 18.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 3.3 t -42.81 -57.73 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.761 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.0 mpp? -56.65 -37.74 71.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.89 -45.83 10.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.94 -28.56 58.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.538 HG13 ' CE ' ' A' ' 42' ' ' MET . 47.5 t -74.01 -66.17 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -41.8 -49.84 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.6 mmtp -41.43 -53.03 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.538 ' CE ' HG13 ' A' ' 39' ' ' VAL . 40.8 mtm -35.44 -48.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.751 ' HB2' HD13 ' A' ' 64' ' ' LEU . 9.6 t80 -74.06 -53.28 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.4 mt-10 -43.02 -62.78 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -40.38 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 1.3 t-80 -69.53 -20.92 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.712 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.3 mp -86.66 -45.25 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.01 -64.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -45.29 -42.51 9.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 39.2 mtp -73.13 -34.74 66.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.6 m120 -122.56 100.59 41.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' PRO . 34.7 m-80 -56.03 -35.24 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -38.5 98.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.96 -42.04 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.6 m -122.35 -0.25 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.14 167.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.43 133.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.712 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 27.8 p90 -173.08 177.29 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.69 130.75 41.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 102' ' ' LEU . 1.4 tt -63.66 -24.82 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 -36.52 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -65.1 -21.25 66.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -75.41 -38.05 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.7 m-30 -71.07 -16.46 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 -17.77 56.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.62 -19.85 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.776 ' HA ' HD12 ' A' ' 71' ' ' LEU . 11.0 mt -71.11 -31.52 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.2 -48.43 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -44.04 -40.01 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 1.061 HD13 HD13 ' A' ' 74' ' ' LEU . 11.8 mt -54.15 172.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -81.64 -42.31 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 177.64 120.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.061 HD13 HD13 ' A' ' 71' ' ' LEU . 1.5 tp -98.64 135.91 39.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -138.76 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.438 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 7.9 p -155.52 151.15 27.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -115.42 119.43 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.3 t -107.29 123.87 62.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -90.42 118.98 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 3.0 ptt180 -108.09 104.82 14.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.16 -26.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 10.2 t0 -40.74 -57.2 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -125.9 13.72 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 44.02 60.58 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -140.46 159.47 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.578 ' HD2' HD12 ' A' ' 77' ' ' LEU . 25.6 p90 -105.51 124.35 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 mm100 -102.4 117.29 61.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.441 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.02 108.93 2.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 20.9 m-30 -98.01 179.55 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -98.89 176.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.983 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.7 ptpt -66.19 -41.26 90.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -47.63 30.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.514 ' CE2' ' HE3' ' A' ' 97' ' ' LYS . 11.0 t90 -56.5 -33.35 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.983 HD12 ' HA ' ' A' ' 91' ' ' LYS . 9.2 mt -78.83 -42.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 68' ' ' ILE . 32.7 mtmt -61.27 -15.22 32.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 100' ' ' VAL . 5.7 mm-40 -91.72 -53.67 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -54.82 -55.06 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.806 ' O ' HD22 ' A' ' 102' ' ' LEU . 18.9 tt -42.62 -58.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.602 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.7 t80 -48.91 -48.15 42.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 96' ' ' GLU . 25.9 t -67.75 -30.87 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -63.07 -28.58 70.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.89 -57.91 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -67.2 -42.12 84.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.758 HG22 ' CD1' ' A' ' 14' ' ' LEU . 57.6 mt -128.34 128.79 68.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.529 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -118.93 124.06 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.758 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.24 -176.08 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -152.73 142.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 33.6 tp60 -141.25 96.03 7.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.648 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.04 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.5 p -115.31 -142.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -129.07 30.9 4.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -113.59 149.8 42.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.87 19.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 56.39 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 169.07 -31.0 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLY . 7.2 t -127.7 162.37 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 2.2 m-85 -144.35 159.12 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -122.71 168.48 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -137.23 117.29 13.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -125.9 -178.29 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.78 -29.52 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.58 169.77 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.33 -48.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 10.2 p30 -52.48 -35.41 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.6 -43.79 97.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.3 m -61.29 -45.41 94.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.573 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.6 mmt -50.96 -54.46 24.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.0 tt0 -37.49 -57.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.75 -46.17 4.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.34 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 6.0 t -49.55 -47.78 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.0 mmtp -42.67 -52.49 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.424 ' SD ' HG21 ' A' ' 15' ' ' VAL . 35.8 mtm -35.84 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.604 ' HB2' HD13 ' A' ' 64' ' ' LEU . 2.8 t80 -75.6 -54.21 7.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.3 mt-10 -41.47 -61.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.34 -33.35 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' TYR . 10.7 t60 -78.33 -23.22 47.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.623 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.706 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -84.69 -45.99 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -37.47 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -41.31 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 46.1 mtp -72.55 -33.43 66.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.3 m120 -126.17 102.45 27.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -52.33 -36.73 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -41.47 100.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.8 t -120.63 0.1 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.68 167.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -177.43 133.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.706 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 23.8 p90 -170.2 -177.94 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.5 125.96 30.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.8 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -56.15 -30.42 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -31.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -71.08 -22.91 62.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.41 -39.12 33.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 14.7 m-30 -69.89 -19.37 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -23.49 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -28.42 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.479 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 17.1 mt -58.64 -46.93 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.19 -44.75 83.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -42.03 -45.77 3.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.4 mt -47.69 157.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -67.07 -32.15 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 t0 163.29 111.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.88 143.16 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -142.85 179.47 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.7 p -153.63 157.67 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.0 mm? -122.0 110.14 15.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.3 t -97.87 133.46 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 4.3 t80 -91.81 137.91 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -131.1 91.89 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -48.92 -23.74 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -51.97 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.5 p -121.03 -5.07 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 60.66 73.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -161.81 163.57 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' HD2' HD12 ' A' ' 77' ' ' LEU . 25.6 p90 -106.62 123.74 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.9 mm100 -99.71 117.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.47 2.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 13.8 m-30 -99.92 179.94 4.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -108.29 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.809 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -67.13 -33.52 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -53.54 -33.0 53.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.638 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 35.3 t90 -76.4 -29.22 57.02 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.971 ' O ' HG22 ' A' ' 98' ' ' ILE . 21.1 mt -76.53 -51.3 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 46.3 mtmt -47.45 -24.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.858 ' O ' HG23 ' A' ' 100' ' ' VAL . 6.3 mm-40 -79.09 -47.11 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.638 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -65.67 -64.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.979 ' O ' HD22 ' A' ' 102' ' ' LEU . 3.4 tt -38.56 -45.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.8 ' CD2' HG21 ' A' ' 61' ' ' ILE . 3.0 t80 -60.02 -54.96 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 96' ' ' GLU . 21.6 t -62.36 -27.21 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -64.16 -30.79 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.979 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.0 -27.96 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.6 mmm180 -58.49 -57.07 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 6.0 ptm180 -68.74 -47.69 65.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 77' ' ' LEU . 22.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.817 HG22 ' CD1' ' A' ' 14' ' ' LEU . 72.6 mt -104.85 136.2 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -130.84 123.95 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.817 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.32 179.79 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -150.14 126.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.577 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 8.2 tp-100 -128.99 94.41 34.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -117.71 -140.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.43 30.51 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.81 150.86 41.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.69 76.79 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.23 43.28 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 102.93 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.3 t -128.85 177.25 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 3.7 m-85 -139.43 179.91 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.83 172.03 14.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.45 126.21 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -126.94 -178.57 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.73 -39.22 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 -176.96 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.24 -50.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 101' ' ' LEU . 1.2 p30 -48.52 -52.59 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 8.9 mm-40 -46.31 -47.03 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.48 -46.95 83.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' MET . . . . . 1.0 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.9 mmt -55.81 -48.82 74.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.2 mt-10 -37.84 -65.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.7 -52.66 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 70.6 t -54.57 -48.76 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.7 t -64.61 -37.53 87.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.8 mmtp -60.64 -53.04 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -36.26 -67.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.577 ' CB ' HD13 ' A' ' 64' ' ' LEU . 49.6 t80 -52.88 -49.29 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.27 -42.73 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.2 -53.51 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.49 -18.1 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.714 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -86.66 -49.76 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HG2' HD11 ' A' ' 57' ' ' ILE . 22.3 mttt -45.19 -52.51 9.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.14 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.58 -39.12 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 1.9 m-80 -112.97 96.14 37.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.797 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -65.14 -32.99 74.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -39.41 107.18 0.43 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -125.28 0.65 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.596 HD11 ' HG2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER 68.29 168.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.537 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.99 136.35 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.714 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -171.38 -177.83 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.04 126.22 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -53.71 -34.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -62.08 -33.02 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.11 -46.21 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.979 HD21 HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -52.7 -46.0 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 95' ' ' LYS . 17.3 m-30 -65.94 -30.01 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -52.01 -22.99 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -22.28 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 95' ' ' LYS . 19.8 mt -63.92 -56.96 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.49 -45.66 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -41.38 -45.49 3.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 46.8 mt -49.19 165.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -77.44 -29.08 52.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 165.05 108.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.39 131.61 46.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 178.62 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.71 ' SG ' HD11 ' A' ' 94' ' ' ILE . 19.6 p -158.44 161.92 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.258 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -129.28 130.82 46.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.681 HG21 ' CH2' ' A' ' 93' ' ' TRP . 33.7 t -110.77 131.07 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.82 127.33 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.433 ' CD ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -125.85 87.58 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.0 -28.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -49.77 -43.29 48.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.433 ' OG1' ' CD ' ' A' ' 80' ' ' ARG . 41.0 p -117.48 -8.14 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 55.18 65.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 t -160.51 170.28 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.629 ' HD2' HD12 ' A' ' 77' ' ' LEU . 27.6 p90 -115.11 129.12 56.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 8.3 mm100 -97.55 111.47 58.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.0 108.1 2.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 98.4 m-85 -106.92 156.53 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -91.34 168.46 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -55.49 -37.58 68.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -46.72 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.681 ' CH2' HG21 ' A' ' 78' ' ' VAL . 51.9 t90 -53.83 -54.38 39.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.047 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.01 ' O ' HG22 ' A' ' 98' ' ' ILE . 3.4 mt -57.39 -54.97 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.529 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 26.1 mtmt -34.95 -35.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' ILE . 4.4 mm-40 -76.64 -55.95 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -52.88 -53.91 42.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.01 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -52.7 -44.13 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.467 ' HD2' HG23 ' A' ' 100' ' ' VAL . 18.9 t80 -65.7 -60.68 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 99' ' ' TYR . 61.3 t -57.29 -24.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.485 ' CD1' ' CB ' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.93 -35.87 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.971 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.8 -33.86 27.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -56.91 -46.12 82.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 13.0 ptm180 -74.62 -48.51 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.7 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 32' ' ' VAL . 37.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.729 HG22 ' CD1' ' A' ' 14' ' ' LEU . 42.5 mt -130.74 131.28 64.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.619 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.5 tm? -126.22 123.77 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.808 HD13 ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -125.69 -179.57 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.677 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -145.27 141.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.513 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 33.3 tp60 -144.76 95.25 5.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.838 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 6.3 p -107.34 -143.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -37.81 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -54.51 155.99 6.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -8.65 20.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.77 105.55 17.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 28.41 2.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.05 144.81 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 t -163.29 169.13 19.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -129.62 171.3 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.43 176.78 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -157.32 135.65 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 6.2 m-85 -134.84 179.89 6.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -82.05 -36.81 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -178.19 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.461 HG22 ' OG1' ' A' ' 11' ' ' THR . 2.5 t -91.74 -53.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 3.3 p-10 -47.62 -41.6 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.6 mm-40 -55.85 -47.12 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.37 -33.36 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.926 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.5 mpp? -74.41 -29.18 61.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.11 -47.0 65.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -40.18 66.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -56.28 -68.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -43.0 -52.36 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.6 mmtp -41.1 -55.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.677 ' SD ' HG21 ' A' ' 15' ' ' VAL . 31.2 mtm -35.71 -44.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.669 ' HB2' HD13 ' A' ' 64' ' ' LEU . 26.5 t80 -79.81 -52.94 7.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.2 mm-40 -47.63 -55.34 9.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -50.3 -30.36 11.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 22.9 t60 -81.29 -25.66 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.581 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -79.06 -47.99 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.36 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -40.34 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 8.7 mmm -72.8 -34.98 67.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.3 m120 -129.45 102.22 18.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -46.45 -31.75 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 9.9 p -43.7 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.81 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.3 t -124.48 -0.99 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 66.25 167.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.53 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -179.91 134.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.711 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 24.1 p90 -170.81 -174.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.54 124.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.936 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -60.88 -21.98 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 m -75.84 -16.6 60.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 tp60 -90.76 -34.4 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -63.52 -43.41 97.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 68' ' ' ILE . 19.2 m-30 -66.55 -31.32 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -47.15 -26.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.402 ' N ' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -85.64 -33.64 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' HG2' ' A' ' 95' ' ' LYS . 14.9 mt -56.52 -41.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -43.66 98.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -45.15 -47.86 12.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.1 mt -44.07 160.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -73.6 -41.62 62.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.4 t70 177.32 105.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.5 tp -97.71 142.15 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' HD22 ' A' ' 14' ' ' LEU . 20.0 m -143.84 178.74 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.615 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 22.5 p -157.22 153.89 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -117.17 127.02 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.16 125.36 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -88.11 129.74 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.43 109.62 13.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -18.45 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -55.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.3 p -111.61 -11.04 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 63.0 59.56 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 t -149.11 -175.02 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' HD2' HD12 ' A' ' 77' ' ' LEU . 19.6 p90 -118.56 122.46 42.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.94 110.13 52.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 108.72 2.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -101.93 162.74 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -85.39 172.8 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.923 ' HA ' HD12 ' A' ' 94' ' ' ILE . 6.1 ptmt -64.14 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 3.0 t70 -57.16 -38.03 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.618 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 18.4 t90 -64.74 -22.63 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.926 HG23 ' SD ' ' A' ' 36' ' ' MET . 11.0 mt -88.1 -39.88 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HG2' HD13 ' A' ' 68' ' ' ILE . 30.9 mtmt -58.74 -15.75 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 33.6 mm-40 -90.69 -59.59 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -49.09 -55.63 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.871 ' O ' HD22 ' A' ' 102' ' ' LEU . 17.9 tt -41.92 -58.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.509 ' H ' HG23 ' A' ' 98' ' ' ILE . 10.0 t80 -52.99 -55.14 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.12 -27.51 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -70.0 -31.66 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.936 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -82.91 -24.5 33.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.9 mmm180 -64.08 -58.32 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -40.6 88.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.833 HG22 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -104.86 129.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.5 tm? -121.34 126.29 49.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.084 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.22 179.74 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.9 t -152.27 120.56 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.904 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 11.7 tp60 -121.91 95.28 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.98 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 64.4 p -126.1 -139.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -117.16 -37.8 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -47.91 149.02 2.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.86 21.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 97.64 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.47 -42.7 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.72 117.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -144.41 137.66 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 1.084 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.3 m-85 -113.24 174.12 6.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -145.64 175.83 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -142.76 134.3 26.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 89.5 m-85 -138.62 -178.86 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -113.67 -35.26 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.58 144.09 42.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 ' SD ' ' A' ' 36' ' ' MET . 24.5 t -57.49 -32.45 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.504 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.44 -52.42 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.2 mm-40 -47.43 -36.42 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.5 t -63.53 -67.42 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.954 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -36.77 -51.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -61.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.94 -44.94 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.77 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -41.5 -48.96 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' MET . 37.2 mmtt -40.66 -52.09 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' LYS . 45.2 mtm -34.97 -72.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.721 ' HB2' HD13 ' A' ' 64' ' ' LEU . 7.3 t80 -50.63 -48.66 57.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.76 -45.56 40.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.64 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -48.94 -23.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.0 mp -82.81 -48.02 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.82 -63.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -42.53 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -115.7 102.62 54.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -57.74 -35.05 70.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.78 100.38 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.42 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.3 m -124.26 0.97 8.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.73 167.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -178.14 133.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.71 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.1 p90 -171.41 -169.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -81.22 123.97 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.743 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -60.62 -28.37 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -26.98 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.01 -14.42 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -81.27 -44.49 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 68' ' ' ILE . 18.3 m-30 -68.16 -15.79 63.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.66 47.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -19.87 19.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 23.4 mt -65.49 -40.56 88.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.75 -29.06 70.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.72 -26.93 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 91.0 mt -65.29 164.55 13.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.904 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -81.43 -40.2 23.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 44.9 t0 177.32 106.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.78 138.55 34.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.411 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -148.21 178.41 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.95 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.709 ' SG ' HD11 ' A' ' 94' ' ' ILE . 1.7 p -153.58 163.28 40.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.7 mm? -127.11 106.97 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' CH2' ' A' ' 93' ' ' TRP . 45.4 t -87.54 127.25 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -90.3 127.21 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.67 128.55 54.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.17 -12.26 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.36 -46.57 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.4 p -124.9 1.82 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 50.59 56.05 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 86' ' ' TYR . 12.8 t -135.66 -153.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.646 ' HD2' HD12 ' A' ' 77' ' ' LEU . 13.5 p90 -129.26 136.53 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -105.44 105.05 50.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.672 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 108.14 2.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.737 ' CD1' ' CD2' ' A' ' 93' ' ' TRP . 25.2 m-85 -106.49 153.92 21.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.89 164.76 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.885 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.26 -42.2 90.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -52.36 -45.83 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.737 ' CD2' ' CD1' ' A' ' 89' ' ' TYR . 74.9 t90 -53.7 -40.08 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.046 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 91' ' ' LYS . 6.5 mt -70.45 -52.79 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.41 ' HD3' HG21 ' A' ' 68' ' ' ILE . 40.9 mtmt -40.09 -38.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 100' ' ' VAL . 49.3 mm-40 -74.27 -43.88 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -62.99 -62.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.894 ' O ' HD22 ' A' ' 102' ' ' LEU . 15.4 tt -39.25 -53.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.233 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.743 ' CD2' HG21 ' A' ' 61' ' ' ILE . 3.3 t80 -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 96' ' ' GLU . 20.4 t -61.71 -32.86 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.954 HD22 ' HB3' ' A' ' 36' ' ' MET . 0.1 OUTLIER -60.32 -30.2 69.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.08 -27.15 30.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.7 mmm180 -59.99 -58.94 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.55 -45.63 78.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.841 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.8 mt -96.55 136.97 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -127.47 123.16 35.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.841 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.77 -172.53 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.6 t -162.4 122.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 7.0 tp-100 -125.66 95.9 39.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.662 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.01 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.5 p -112.65 -143.96 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -129.78 30.95 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -112.99 147.14 36.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.46 20.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.07 79.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.42 -35.89 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.84 138.82 38.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -152.18 158.29 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.834 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.8 m-85 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -155.52 176.86 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.61 139.24 27.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.0 177.17 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 31' ' ' SER . 8.6 pt-20 -98.73 -38.34 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 41.2 m -119.55 160.18 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.7 t -72.71 -42.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.1 p-10 -55.58 -38.63 69.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -65.83 -37.8 87.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.73 -44.92 96.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 108.255 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.0 mmt -59.3 -46.76 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -37.62 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.72 -59.73 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -45.75 -47.63 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' GLU . 43.4 t -62.5 -39.58 93.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.3 mttm -54.21 -50.6 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.463 ' SD ' HG21 ' A' ' 15' ' ' VAL . 26.3 mtm -34.41 -71.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.798 ' HB2' HD13 ' A' ' 64' ' ' LEU . 15.1 t80 -51.92 -45.52 64.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -46.33 69.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.35 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.24 -21.55 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.642 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 3.6 mp -81.94 -48.69 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -38.33 -62.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -40.93 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.77 -38.96 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.7 m120 -125.46 101.64 30.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -49.05 -34.39 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 18.7 p -41.58 101.31 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.59 -1.85 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.57 167.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.532 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.29 134.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.642 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.7 p90 -171.04 -178.01 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 127.08 33.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.911 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -53.41 -39.29 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -30.19 54.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -76.49 -44.85 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -54.83 -49.2 71.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.764 ' CD1' HD12 ' A' ' 68' ' ' ILE . 18.5 m-30 -68.55 -15.68 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 21.2 t0 -58.48 -27.23 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -24.32 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' A' ' 65' ' ' PHE . 20.7 mt -56.68 -37.23 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.19 -33.59 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 74.2 mt -57.39 171.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.705 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -86.65 -40.55 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 177.19 109.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.03 140.85 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.76 179.2 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.621 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 7.0 p -157.1 160.54 38.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -127.16 115.45 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.54 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 35.2 t -100.22 143.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -98.1 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 84.48 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.07 -27.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.3 -38.67 42.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.432 ' OG1' HG22 ' A' ' 85' ' ' THR . 43.0 p -125.02 3.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 43.71 72.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.432 HG22 ' OG1' ' A' ' 83' ' ' THR . 15.1 t -167.91 164.82 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.611 ' HD2' HD12 ' A' ' 77' ' ' LEU . 37.3 p90 -109.3 116.7 32.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.86 111.48 53.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.508 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.617 ' CD2' ' CE2' ' A' ' 93' ' ' TRP . 18.5 m-85 -100.88 -179.56 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -100.07 -175.54 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.95 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.88 -33.31 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.62 -41.41 81.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.635 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 55.1 t90 -64.12 -33.0 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.046 ' O ' HG22 ' A' ' 98' ' ' ILE . 13.7 mt -75.19 -54.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 43.8 mtmt -43.71 -27.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 7.8 mm-40 -76.14 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.635 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.48 -55.44 10.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.046 HG22 ' O ' ' A' ' 94' ' ' ILE . 5.3 tt -50.93 -51.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 7.5 t80 -57.97 -55.23 37.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.87 -24.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.547 HD23 HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -72.91 -34.13 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.911 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -79.24 -29.39 42.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.0 mmm180 -56.18 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.1 ptm180 -67.05 -48.08 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.527 HG22 ' SG ' ' A' ' 35' ' ' CYS . 2.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.799 HG22 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -91.39 124.57 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -119.31 123.86 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.799 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -124.36 -174.82 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -153.17 138.36 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.634 HE22 ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -132.04 95.64 21.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -42.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 49.2 p -141.34 -63.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.634 ' N ' HE22 ' A' ' 16' ' ' GLN . 1.1 mmtt 164.39 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LYS . 23.8 mmt180 -38.11 144.16 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.02 -11.13 21.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.55 -13.34 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.63 53.07 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -158.31 120.8 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -150.07 176.45 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -137.95 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.87 172.93 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.53 126.8 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 93.5 m-85 -124.77 -178.61 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -93.07 -29.05 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.06 171.52 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 2.2 t -75.44 -52.11 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 69.4 m-20 -39.93 -58.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 8.5 mm-40 -40.55 -46.77 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.527 ' SG ' HG22 ' A' ' 11' ' ' THR . 76.0 m -58.35 -51.04 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.923 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.6 mmt -50.19 -32.04 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -60.73 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.93 -38.03 7.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 42' ' ' MET . 49.2 t -62.36 -70.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.625 ' SG ' HD22 ' A' ' 64' ' ' LEU . 3.3 t -42.71 -52.42 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' CYS . 8.8 mmtp -34.15 -50.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.0 mtm -36.21 -57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.793 ' HB2' HD13 ' A' ' 64' ' ' LEU . 9.5 t80 -67.39 -47.3 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -43.04 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 42' ' ' MET . 2.0 pt-20 -47.59 -45.66 27.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.69 -24.91 64.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -84.78 -46.07 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -37.96 -61.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -41.25 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.89 -41.48 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -116.87 104.38 51.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' PRO . 10.7 p30 -55.17 -36.46 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -38.98 99.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.98 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -120.24 0.13 10.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.07 167.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.97 132.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.8 p90 -166.81 170.62 12.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 6.3 m-20 -79.69 139.52 37.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.766 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -60.18 -25.35 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -16.38 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 21.7 mm-40 -86.45 -19.72 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -80.64 -39.2 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.698 ' HD1' HD12 ' A' ' 68' ' ' ILE . 23.2 m-30 -71.78 -8.96 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.69 -21.09 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -96.44 -32.62 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.727 HG21 ' HD2' ' A' ' 95' ' ' LYS . 24.7 mt -54.0 -25.73 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -77.22 -23.33 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' PHE . 8.8 t0 -75.16 -34.34 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.33 163.09 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.34 -38.57 50.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 164.81 112.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.5 tp -103.12 145.17 30.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.405 ' O ' HD22 ' A' ' 14' ' ' LEU . 22.1 m -148.83 178.76 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 15.9 t -154.22 156.16 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.6 mm? -119.0 136.96 53.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.94 123.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.3 128.62 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 ptp85 -125.95 101.68 6.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.19 -26.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -43.89 -55.36 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -117.57 -8.63 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 61.11 59.38 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.51 163.42 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 44.2 p90 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' ' 89' ' ' TYR . 6.8 tm0? -83.06 112.81 41.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.497 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.91 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.562 1.822 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CD1' ' CG ' ' A' ' 93' ' ' TRP . 32.7 m-85 -118.59 129.53 55.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' HD12 ' A' ' 94' ' ' ILE . 1.4 m120 -69.77 157.77 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' LEU . 7.3 pttp -44.58 -42.03 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -54.22 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.716 ' CG ' ' CD1' ' A' ' 89' ' ' TYR . 83.0 t90 -50.1 -47.66 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.923 HG23 ' SD ' ' A' ' 36' ' ' MET . 3.5 mp -62.73 -53.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.727 ' HD2' HG21 ' A' ' 68' ' ' ILE . 12.1 mtpt -41.32 -33.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 100' ' ' VAL . 51.8 mm-40 -72.6 -45.3 59.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -64.11 -63.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.954 ' O ' HD22 ' A' ' 102' ' ' LEU . 11.7 tt -40.88 -49.27 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.766 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.4 t80 -54.17 -47.97 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 96' ' ' GLU . 14.9 t -71.17 -29.73 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -59.65 -38.16 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.32 -37.84 60.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -63.58 -44.98 92.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -75.99 -33.6 59.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.828 HG22 ' CD1' ' A' ' 14' ' ' LEU . 16.0 mt -99.47 123.45 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.8 tm? -119.05 123.65 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 1.024 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.51 178.12 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.763 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -147.67 126.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.01 88.52 54.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HA ' HD23 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.94 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 p -138.48 172.05 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -79.71 52.39 1.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -121.26 122.77 28.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 20' ' ' ARG . 3.3 mt-10 -102.68 68.34 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.65 -39.44 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.0 131.37 31.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -151.01 147.95 27.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 1.024 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.9 m-85 -111.21 178.2 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.23 176.43 12.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.54 134.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -131.54 173.96 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.79 -48.05 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.6 m -105.0 165.72 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.43 -38.85 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.2 p-10 -54.5 -30.77 54.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.81 -48.92 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' HD23 ' A' ' 13' ' ' LEU . 7.8 t -46.26 -44.78 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.857 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.0 mmt -60.0 -49.21 78.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -38.85 -63.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.82 -38.91 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.421 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 47.7 t -71.75 -45.96 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' GLU . 38.0 t -63.85 -35.12 79.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' MET . 9.6 mmtp -61.63 -53.64 53.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.763 ' SD ' HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -35.24 -67.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CB ' HD13 ' A' ' 64' ' ' LEU . 59.1 t80 -53.73 -53.25 54.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.5 mt-10 -42.67 -46.54 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 47' ' ' LEU . 5.5 mm-40 -48.69 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -46.96 -24.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -83.65 -48.56 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -39.16 -59.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -40.03 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -71.77 -42.28 67.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.32 103.71 54.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' PRO . 15.2 m120 -55.46 -36.2 66.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -38.53 98.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.96 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -123.82 0.85 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.56 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.534 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -174.45 132.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.2 p90 -169.54 -176.74 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.92 120.26 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -50.87 -31.06 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.6 p -66.36 -34.56 78.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.6 tp60 -70.95 -49.65 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -45.24 -44.61 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' HD12 ' A' ' 68' ' ' ILE . 13.8 m-30 -66.34 -31.29 71.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLN . 3.1 t0 -51.54 -23.65 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -93.43 -22.85 18.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 65' ' ' PHE . 39.6 mt -67.98 -44.12 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.86 -31.49 72.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.5 -33.89 71.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 17' ' ' PRO . 67.0 mt -57.34 162.1 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -70.51 -44.3 67.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.3 t0 178.08 108.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 tp -100.24 139.5 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.96 179.16 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.666 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.8 p -157.28 164.07 38.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 76' ' ' CYS . 2.1 mm? -126.94 126.95 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.516 HG21 ' CH2' ' A' ' 93' ' ' TRP . 13.4 t -111.52 141.55 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -91.79 143.98 25.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLN . 10.9 ptm180 -142.09 109.93 5.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.87 -14.82 37.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -53.68 -49.15 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.2 p -126.05 1.4 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mm-40 52.83 69.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 9.6 t -154.42 -171.23 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.636 ' HD2' HD12 ' A' ' 77' ' ' LEU . 22.0 p90 -116.81 130.66 56.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.59 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 6.9 mm100 -100.33 108.76 54.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.663 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 54.5 m-85 -106.46 131.88 53.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -178.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.991 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.6 OUTLIER -72.53 -38.04 68.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.56 -40.66 60.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.596 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 70.1 t90 -62.67 -47.04 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.069 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.011 ' O ' HG22 ' A' ' 98' ' ' ILE . 7.8 mt -60.11 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 68' ' ' ILE . 37.2 mtmt -54.48 -19.04 4.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.765 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -91.54 -19.96 22.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -95.19 -55.19 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.011 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -49.0 -42.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.628 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -64.3 -64.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 96' ' ' GLU . 7.5 p -55.65 -24.1 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -63.6 -39.26 93.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.9 -25.97 40.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 23.0 mmm180 -62.99 -53.39 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.3 ptm85 -69.31 -43.44 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.5 mt-30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 35' ' ' CYS . 18.3 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.821 HG22 ' CD1' ' A' ' 14' ' ' LEU . 18.7 mt -102.47 125.09 56.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.77 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.7 tm? -120.27 125.01 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.821 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.68 178.38 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.68 131.46 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.658 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 8.8 tp-100 -133.2 96.02 17.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.634 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.0 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 37.4 p -110.94 -150.81 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 -31.22 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -57.76 152.77 35.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.58 18.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.95 -17.09 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.21 62.1 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -117.85 75.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -116.8 141.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.3 m-85 -137.79 168.02 20.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.47 175.73 9.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.67 123.4 14.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.9 177.94 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.94 -38.26 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.79 169.61 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.42 -52.32 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.534 ' O ' HD13 ' A' ' 101' ' ' LEU . 4.0 p-10 -48.42 -34.46 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HB2' HG21 ' A' ' 11' ' ' THR . 7.7 t -53.09 -45.0 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.533 ' HE1' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -62.25 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.84 -55.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.16 -41.82 31.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' MET . 78.4 t -64.31 -70.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -38.45 -52.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' CYS . 10.7 mmtp -36.77 -49.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 23.3 mtm -34.18 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.72 ' HB2' HD13 ' A' ' 64' ' ' LEU . 7.8 t80 -56.98 -50.59 72.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -36.98 -68.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.9 mm-40 -40.05 -67.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.02 -32.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.8 mp -81.54 -46.96 13.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -37.41 -62.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -41.87 47.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -69.32 -36.83 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -122.54 103.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' PRO . 11.8 p30 -50.37 -36.36 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.16 98.52 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -75.06 -40.92 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.8 m -122.08 -0.06 9.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.25 168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.54 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -170.32 131.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 19.3 p90 -169.15 -179.32 3.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 80.3 m-20 -85.6 122.42 29.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.625 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -49.99 -29.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -30.47 56.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 33.0 mm-40 -70.99 -25.89 62.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -74.93 -41.44 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.668 ' HD1' HD12 ' A' ' 68' ' ' ILE . 19.6 m-85 -70.73 -13.02 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.31 -20.98 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.78 -35.76 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.668 HD12 ' HD1' ' A' ' 65' ' ' PHE . 23.5 mt -57.39 -20.11 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.53 -28.67 52.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -68.79 -36.09 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.1 mt -46.11 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -89.09 -42.46 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 t0 177.22 106.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 7.4 tp -101.25 135.94 41.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' TYR . 1.1 m -138.94 176.47 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.599 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.8 p -150.91 154.81 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.1 mm? -121.46 118.08 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -105.16 129.09 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.77 126.17 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLN . 8.7 ptm180 -123.88 112.54 17.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.18 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -51.92 64.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.7 p -119.87 -4.89 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.4 mm-40 58.91 66.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -157.29 164.39 37.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.601 ' HD2' HD12 ' A' ' 77' ' ' LEU . 29.4 p90 -106.56 118.35 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -91.6 112.45 54.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 118.93 5.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.1 m-30 -117.06 149.2 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.79 -171.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.993 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -79.2 -17.56 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -48.01 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.625 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 29.5 t90 -60.16 -35.76 76.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.993 HD12 ' HA ' ' A' ' 91' ' ' LYS . 15.6 mt -70.06 -55.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.624 ' HD2' HG21 ' A' ' 68' ' ' ILE . 4.1 mtpp -50.65 -22.47 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.862 ' O ' HG23 ' A' ' 100' ' ' VAL . 3.5 mm-40 -80.63 -44.98 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.625 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -68.9 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.897 HG22 ' O ' ' A' ' 94' ' ' ILE . 11.7 tt -38.57 -48.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.3 t80 -55.78 -49.23 73.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 96' ' ' GLU . 17.6 t -68.05 -27.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -64.71 -31.77 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.01 -33.57 44.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.445 ' NH1' ' HA ' ' A' ' 103' ' ' ARG . 4.9 mmm180 -53.36 -56.84 13.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.1 ptm180 -69.05 -50.0 52.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 ' SG ' ' A' ' 35' ' ' CYS . 38.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.813 HG22 ' CD1' ' A' ' 14' ' ' LEU . 11.0 mt -122.79 126.1 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.841 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -121.25 123.49 42.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.841 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -130.92 176.64 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.33 140.99 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.615 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 6.0 tp-100 -146.14 93.55 5.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.78 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.01 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 67.1 p -110.3 -143.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.52 -39.42 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -44.55 152.2 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -13.25 21.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.46 99.53 4.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 131.31 -38.16 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 21' ' ' PRO . 65.1 mtm180 -41.64 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.0 t -121.24 153.08 38.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 2.2 m-85 -135.26 169.91 16.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.46 177.14 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.57 134.15 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -123.74 169.79 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -50.02 10.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.8 p -118.16 177.81 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG13 ' CE ' ' A' ' 36' ' ' MET . 1.5 t -77.32 -49.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.558 ' HA ' HD13 ' A' ' 101' ' ' LEU . 61.0 m-20 -41.15 -48.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.47 -38.73 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 11' ' ' THR . 49.2 t -52.04 -57.02 10.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.303 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.845 ' SD ' HG23 ' A' ' 94' ' ' ILE . 1.5 mpp? -64.47 -48.5 74.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' MET . 3.5 tt0 -37.41 -53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -42.61 -43.69 5.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.657 HG13 ' HE3' ' A' ' 42' ' ' MET . 74.4 t -61.97 -52.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.6 t -45.38 -35.86 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -57.11 -52.23 66.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.657 ' HE3' HG13 ' A' ' 39' ' ' VAL . 28.2 mtm -34.09 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.621 ' HB2' HD13 ' A' ' 64' ' ' LEU . 14.6 t80 -48.27 -53.97 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.26 -42.8 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.59 -65.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -50.05 -22.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.6 mp -83.67 -48.12 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.83 -62.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -42.44 38.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -69.37 -40.73 77.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.96 102.65 52.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.8 -35.46 70.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -40.98 100.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -122.95 0.77 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.58 167.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.547 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -175.53 133.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.65 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.6 p90 -170.99 -174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLN . 4.2 m-20 -83.17 121.41 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -43.85 -35.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -44.76 83.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.52 ' O ' ' CZ ' ' A' ' 43' ' ' TYR . 3.2 tp60 -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.888 HD21 HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -65.63 -42.53 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 17.6 m-30 -68.67 -23.94 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.55 -23.85 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -29.98 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.663 HD13 ' HG3' ' A' ' 95' ' ' LYS . 15.1 mt -60.91 -28.04 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -50.18 40.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.52 -44.22 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 93.5 mt -45.58 157.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -78.67 -34.6 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 169.13 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 tp -99.24 140.4 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.737 ' HA ' HD11 ' A' ' 94' ' ' ILE . 38.2 m -146.82 177.34 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 77' ' ' LEU . 21.8 p -158.46 160.61 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.269 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.5 mm? -120.99 131.0 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 32' ' ' VAL . 38.0 t -120.4 124.01 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.44 136.72 40.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.414 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -137.49 85.27 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.75 -33.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.36 -46.25 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.7 p -114.21 -16.19 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 65.64 55.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 86' ' ' TYR . 1.6 t -154.46 -174.43 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.511 ' HD2' HD12 ' A' ' 77' ' ' LEU . 27.5 p90 -120.4 124.32 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.74 111.37 54.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.49 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.98 108.09 2.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 19.2 m-85 -99.0 134.95 41.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.09 165.87 24.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.87 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.23 -31.24 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.71 -45.69 91.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 6.9 t90 -66.81 -33.6 75.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.003 ' O ' HG22 ' A' ' 98' ' ' ILE . 19.9 mt -70.1 -55.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.663 ' HG3' HD13 ' A' ' 68' ' ' ILE . 7.4 mtpt -42.52 -28.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.616 ' O ' HG12 ' A' ' 100' ' ' VAL . 2.0 mm-40 -75.29 -62.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.31 -55.93 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.015 ' O ' HD22 ' A' ' 102' ' ' LEU . 4.9 tt -50.7 -44.38 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.41 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.622 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.3 p -58.33 -21.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD13 ' HA ' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -67.09 -44.19 80.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.23 -34.52 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -62.0 -50.37 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.6 ptm180 -71.52 -41.23 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' CYS . 78.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 14' ' ' LEU . 35.6 mt -111.37 125.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.744 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -120.63 124.23 44.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.797 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.22 -177.88 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.6 t -151.17 119.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.452 ' OE1' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -118.31 88.83 34.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.3 Cg_endo -75.04 -37.76 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 5.9 p -148.0 164.53 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -32.06 68.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -56.41 153.69 19.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.27 21.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -27.57 2.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.51 59.37 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -117.84 61.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.7 t -117.39 154.94 30.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 2.7 m-85 -140.15 177.95 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.15 176.9 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -144.5 133.04 22.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 96.7 m-85 -134.41 179.82 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.94 -28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 147.46 44.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.36 -51.39 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -44.62 -46.76 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 79.8 mm-40 -54.92 -51.37 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 11' ' ' THR . 11.0 t -45.99 -51.36 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.912 ' SD ' HG23 ' A' ' 94' ' ' ILE . 11.8 mmt -50.6 -48.66 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -38.72 -60.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.65 -42.19 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 94' ' ' ILE . 62.4 t -65.1 -51.45 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -62.43 -40.45 96.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 19.3 mmmt -51.43 -56.53 12.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -35.84 -67.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.737 ' HB2' HD13 ' A' ' 64' ' ' LEU . 18.6 t80 -57.02 -42.19 79.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.4 mt-10 -53.43 -40.98 65.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -55.3 -52.06 64.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -67.03 -11.5 57.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.54 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 2.9 mp -83.74 -43.78 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.2 mmtp -34.53 -70.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -41.45 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 26.0 mmm -68.27 -34.06 75.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.1 m120 -142.1 98.98 6.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.98 -67.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.6 p30 -42.54 -28.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 43.3 p -36.82 98.98 0.17 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.99 -44.74 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.4 t -122.78 -2.07 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.49 167.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.33 133.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.434 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 30.9 p90 -178.12 158.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.11 162.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.878 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -90.48 -43.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -15.11 24.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -83.07 -29.21 28.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -87.79 -31.8 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.648 ' CE2' HG23 ' A' ' 61' ' ' ILE . 13.8 m-30 -72.76 -23.5 60.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -20.64 66.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.79 -26.38 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' HD3' ' A' ' 91' ' ' LYS . 38.1 mt -59.81 -53.9 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.32 -35.71 67.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.15 -36.93 43.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 mt -56.84 177.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -84.08 -44.05 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.7 t70 179.95 105.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.96 136.1 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -145.83 179.27 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.579 ' SG ' HD11 ' A' ' 94' ' ' ILE . 2.4 p -153.21 162.21 41.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -123.18 126.82 47.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.408 HG21 ' CH2' ' A' ' 93' ' ' TRP . 17.1 t -105.52 127.32 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -91.48 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -98.71 91.21 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 30.4 m-20 -45.21 -46.88 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -126.14 8.37 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 44.02 73.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -154.15 -177.22 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.542 ' HD2' HD12 ' A' ' 77' ' ' LEU . 22.4 p90 -123.22 126.3 46.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.583 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -101.1 111.59 63.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.6 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 82.3 m-85 -106.85 137.77 44.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -64.37 179.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.794 ' HA ' HD12 ' A' ' 94' ' ' ILE . 3.1 ptpp? -72.0 -38.65 69.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -45.02 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 77.4 t90 -55.72 -39.94 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.008 ' O ' HG22 ' A' ' 98' ' ' ILE . 7.8 mt -71.25 -54.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 37.1 mtmt -41.69 -29.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 100' ' ' VAL . 9.3 mm-40 -81.55 -44.38 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -65.56 -57.6 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.008 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.0 tt -44.32 -45.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.475 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 3.1 t80 -59.49 -51.08 71.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 96' ' ' GLU . 19.0 t -65.99 -30.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -57.57 -36.08 71.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.878 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -78.51 -35.83 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -56.73 -49.17 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.9 ptm180 -73.91 -47.05 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.3 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.625 HG22 ' SG ' ' A' ' 35' ' ' CYS . 1.9 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.824 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.7 mt -121.08 124.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.601 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -119.04 122.04 41.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.824 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -124.25 172.1 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG21 ' CE ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -141.88 120.66 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.56 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 9.0 tp-100 -123.04 96.34 44.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.701 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.521 1.8 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.2 p -116.9 -139.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -35.89 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -42.59 154.37 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.98 -23.85 13.43 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.43 -34.81 59.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.9 -23.71 51.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -61.98 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -131.26 157.2 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.5 m-85 -142.83 162.71 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.08 174.85 9.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.56 118.3 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HD1' ' HG ' ' A' ' 35' ' ' CYS . 87.0 m-85 -119.39 -177.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -84.27 -59.08 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 33' ' ' ASN . 3.3 m -117.04 176.76 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG13 ' CE ' ' A' ' 36' ' ' MET . 1.3 t -66.62 -52.9 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.559 ' CB ' HD13 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -39.89 -49.31 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.27 -44.8 75.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' HG22 ' A' ' 11' ' ' THR . 18.1 m -59.61 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.58 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.9 mmt -51.76 -59.0 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' OE1' ' CE ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -37.14 -61.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -37.53 -51.92 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 57.4 t -48.62 -45.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.982 ' HB2' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -74.22 -42.03 60.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CE ' ' OE1' ' A' ' 37' ' ' GLU . 8.2 mmtt -52.72 -36.16 57.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -57.54 -66.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 24.8 t80 -43.17 -51.87 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' TYR . 4.9 mt-10 -37.41 -50.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -48.8 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -49.16 -23.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -83.1 -48.14 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -38.22 -60.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -40.51 59.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.55 -41.45 72.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.97 100.43 52.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.29 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -58.67 -35.22 72.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -43.11 101.93 0.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -118.91 -0.55 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.81 167.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -176.11 136.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 6.9 p90 -170.13 -171.19 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 142.22 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.546 HD11 HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -56.34 -40.48 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -27.79 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -72.72 -19.51 61.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.858 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -83.95 -44.15 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 95' ' ' LYS . 16.4 m-30 -65.67 -10.36 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.65 -25.79 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -96.4 -10.66 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.444 HD12 ' CD1' ' A' ' 65' ' ' PHE . 2.3 mt -78.08 -43.22 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.76 -18.21 61.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -40.96 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 67' ' ' PHE . 96.4 mt -47.28 157.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -68.66 -33.36 73.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 174.06 110.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tp -105.29 129.07 53.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' HD11 ' A' ' 94' ' ' ILE . 68.8 m -136.83 178.58 6.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.443 ' O ' HD13 ' A' ' 77' ' ' LEU . 2.9 t -156.35 147.61 22.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.3 mm? -117.03 131.16 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 32' ' ' VAL . 73.2 t -118.68 123.43 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.44 112.82 20.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 5.6 ptp180 -113.5 115.95 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.71 -20.03 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.35 -47.64 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.3 p -118.88 -7.34 10.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.3 mm-40 59.43 64.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -164.38 161.0 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.543 ' HD2' HD12 ' A' ' 77' ' ' LEU . 41.0 p90 -105.24 113.75 27.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.48 113.4 41.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.99 107.94 2.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.776 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 26.4 m-85 -97.62 160.38 14.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.61 172.14 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -63.02 -26.57 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -73.89 -15.24 61.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.776 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 19.9 t90 -93.75 -21.71 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 98' ' ' ILE . 44.4 mt -83.7 -53.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 10.9 ptpt -53.83 -19.6 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.913 ' O ' HG23 ' A' ' 100' ' ' VAL . 31.8 mm-40 -80.84 -46.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -64.87 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.982 HD11 ' HB2' ' A' ' 40' ' ' CYS . 13.4 tt -39.16 -55.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD2' HG21 ' A' ' 61' ' ' ILE . 1.8 t80 -48.56 -46.59 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 96' ' ' GLU . 16.7 t -70.24 -36.22 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.559 HD13 ' CB ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -54.43 -29.1 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.79 -31.97 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 6.2 mmm180 -57.54 -55.15 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -69.55 -48.34 60.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.636 ' OG1' HG22 ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.866 HG22 ' CD1' ' A' ' 14' ' ' LEU . 22.9 mt -112.07 128.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.729 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -119.45 123.81 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.979 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -131.29 -177.75 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.8 HG22 HD11 ' A' ' 74' ' ' LEU . 1.4 t -152.72 140.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.742 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 7.1 tp-100 -141.03 95.38 7.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.01 -47.96 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 37.5 p -113.88 -149.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -33.83 6.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -64.05 153.7 84.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.99 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 98.13 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.81 33.45 1.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 4.5 ppt_? -135.96 152.37 50.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -169.94 161.51 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.979 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.6 m-85 -119.49 173.0 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.24 174.45 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.66 120.73 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -115.27 173.17 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -77.14 -35.58 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.4 156.55 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG22 ' OG1' ' A' ' 11' ' ' THR . 6.3 t -67.05 -46.59 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.484 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -50.08 -43.34 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.8 mm-40 -53.25 -43.15 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.3 m -55.29 -56.13 23.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.429 ' HG2' ' N ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -45.27 -50.88 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.98 -49.51 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.33 -27.27 46.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG13 ' CE ' ' A' ' 42' ' ' MET . 48.1 t -76.69 -70.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' HD22 ' A' ' 64' ' ' LEU . 43.2 t -40.52 -49.96 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.2 mmtp -39.04 -50.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.573 ' CE ' HG13 ' A' ' 39' ' ' VAL . 49.3 mtm -34.4 -71.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.656 ' HB2' HD13 ' A' ' 64' ' ' LEU . 8.8 t80 -50.52 -53.63 28.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.29 -43.36 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -48.14 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 8.1 t60 -67.62 -19.98 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.609 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.72 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.0 mp -86.12 -51.43 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG2' HD11 ' A' ' 57' ' ' ILE . 21.9 mttt -40.04 -57.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -48.86 -39.37 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 mmm -79.38 -36.77 38.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.5 m120 -123.69 97.14 42.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.2 p30 -41.56 -29.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 27.0 p -37.53 102.66 0.24 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -121.07 -3.75 9.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 62.13 166.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.505 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.6 133.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.72 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 3.1 p90 -160.46 -52.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 1.7 m-20 156.69 162.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -91.02 -39.77 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -49.27 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.24 -39.24 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -64.64 -49.63 70.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.6 m-30 -54.47 -22.75 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -57.34 -28.16 62.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.21 -30.33 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 71' ' ' LEU . 14.8 mt -58.36 -35.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -48.02 68.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -42.99 -41.24 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 74' ' ' LEU . 12.3 mt -53.34 171.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.742 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -79.8 -46.16 17.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.2 t70 178.19 120.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 tp -98.04 142.38 29.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -145.29 177.12 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.594 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.5 p -158.25 163.97 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.3 mm? -123.13 116.49 23.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.1 t -106.08 127.21 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.598 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 14.3 t80 -80.51 144.42 32.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CZ ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -142.78 81.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.598 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -44.45 -29.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -42.41 -43.2 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.5 ' OG1' ' CZ ' ' A' ' 80' ' ' ARG . 80.8 p -125.22 0.57 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 52.08 74.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -165.32 175.37 9.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 26.2 p90 -118.6 116.43 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.515 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -92.14 113.68 59.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 16.0 m-30 -100.34 178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.15 -169.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.9 OUTLIER -82.81 -33.72 27.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.13 -34.43 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.603 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 56.8 t90 -70.89 -31.36 67.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.058 ' O ' HG22 ' A' ' 98' ' ' ILE . 10.8 mt -77.87 -53.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HG2' HD13 ' A' ' 68' ' ' ILE . 38.1 mtmt -40.28 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.65 ' O ' HG12 ' A' ' 100' ' ' VAL . 5.7 mm-40 -78.77 -63.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.603 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -45.19 -50.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.058 HG22 ' O ' ' A' ' 94' ' ' ILE . 6.2 tt -57.3 -41.37 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.618 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -67.37 -57.42 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 96' ' ' GLU . 5.5 p -62.58 -25.11 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.9 OUTLIER -56.95 -35.13 68.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -85.56 -33.65 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 4.3 mmm180 -55.9 -43.28 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 4.5 ptm180 -76.54 -48.07 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 3.2 mt-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.446 HG22 ' SG ' ' A' ' 35' ' ' CYS . 96.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.867 HG22 ' CD1' ' A' ' 14' ' ' LEU . 28.7 mt -130.44 128.81 64.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.5 tm? -119.32 127.94 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.867 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -131.42 -179.61 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.804 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.4 t -156.35 131.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.649 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 6.9 tp-100 -134.69 95.17 16.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.747 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -113.64 -141.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -38.79 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -46.82 146.76 2.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.48 37.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.96 33.83 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -136.9 116.2 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -142.05 144.86 33.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.827 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.6 m-85 -112.74 152.87 28.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -132.27 175.81 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -142.15 145.04 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 69.1 m-85 -134.75 -178.4 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.78 -30.13 12.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 161.03 34.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' CE ' ' A' ' 36' ' ' MET . 2.2 t -66.47 -46.1 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 6.2 m120 -49.72 -49.21 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.69 -36.94 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.548 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 4.9 t -58.86 -54.03 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.254 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' MET . . . . . 1.015 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.6 tpp -66.01 -41.29 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.3 tt0 -37.27 -58.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 41' ' ' LYS . . . -37.47 -57.49 1.47 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.0 t -41.58 -61.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 t -44.12 -48.01 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.2 mttt -48.72 -57.86 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.804 ' SD ' HG21 ' A' ' 15' ' ' VAL . 35.4 mtm -34.76 -66.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CB ' HD13 ' A' ' 64' ' ' LEU . 68.8 t80 -54.96 -55.5 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.0 mt-10 -40.98 -46.27 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' LEU . 4.6 mm-40 -47.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -46.49 -25.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.669 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.8 mp -83.71 -47.18 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -38.82 -60.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.57 57.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -71.03 -40.67 71.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.417 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 3.1 m-80 -117.6 103.7 50.5 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -53.51 -35.57 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.5 OUTLIER -40.45 100.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.66 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -125.43 1.11 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.59 167.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -173.92 132.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -170.59 -169.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 69.6 m-20 -79.63 112.44 16.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 99' ' ' TYR . 1.1 tt -45.64 -32.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -46.71 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -53.22 -32.27 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -62.94 -39.06 93.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.609 ' HA ' HD12 ' A' ' 68' ' ' ILE . 16.3 m-30 -67.3 -27.57 67.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.45 -22.24 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.93 -29.01 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 65' ' ' PHE . 5.9 mt -64.47 -42.88 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.21 86.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.32 -44.31 68.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 96.5 mt -46.8 159.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -71.34 -28.44 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 t0 164.97 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 75' ' ' SER . 11.0 tp -100.49 143.7 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.433 ' H ' HD12 ' A' ' 74' ' ' LEU . 1.4 m -144.45 179.3 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 3.3 p -157.71 160.97 38.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.562 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.4 mm? -125.41 115.9 21.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 70.5 t -98.14 124.23 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -90.27 115.39 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLN . 11.3 ptm180 -112.96 120.6 41.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.07 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.94 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -40.88 -51.33 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -122.91 -1.68 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.6 mm-40 55.82 68.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.5 t -155.89 160.93 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' HD2' HD12 ' A' ' 77' ' ' LEU . 34.3 p90 -106.39 119.67 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.614 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 3.2 mm100 -97.54 115.97 65.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.452 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.0 m-30 -98.79 -179.62 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -107.53 163.93 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.878 ' HA ' HD12 ' A' ' 94' ' ' ILE . 1.1 pttt -52.82 -35.95 57.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.44 -39.04 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CE3' ' SG ' ' A' ' 76' ' ' CYS . 31.9 t90 -70.9 -26.66 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 1.074 ' O ' HG22 ' A' ' 98' ' ' ILE . 29.5 mt -79.93 -56.14 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.5 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 36.6 mtmt -40.16 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 100' ' ' VAL . 6.1 mm-40 -76.05 -65.13 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -46.75 -55.03 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 1.074 HG22 ' O ' ' A' ' 94' ' ' ILE . 6.9 tt -50.41 -44.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.627 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.88 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.627 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -58.1 -24.07 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.0 OUTLIER -62.29 -37.72 86.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -81.6 -32.29 32.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -56.2 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -61.76 -45.71 92.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.748 HG22 ' CD1' ' A' ' 14' ' ' LEU . 44.6 mt -111.27 126.88 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -120.31 126.28 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.764 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -126.54 -178.38 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.7 130.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.676 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 8.4 tp-100 -134.12 95.29 16.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.601 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.96 -49.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.447 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 61.9 p -112.84 -151.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.34 -40.37 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -57.45 153.88 26.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.475 ' CA ' ' HD3' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -7.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 89.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.42 34.99 1.04 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HD3' ' CA ' ' A' ' 21' ' ' PRO . 23.2 ptt85 -112.19 134.44 53.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -163.54 158.66 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -134.58 163.98 28.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -134.64 170.6 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -133.23 134.81 44.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 79.7 m-85 -130.22 178.0 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.92 -44.02 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.68 159.65 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.71 -50.58 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.641 ' HB3' HD13 ' A' ' 101' ' ' LEU . 46.0 m-20 -51.05 -50.76 58.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -48.66 -36.44 16.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 1.6 t -72.13 -38.11 69.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.897 ' SD ' HG23 ' A' ' 94' ' ' ILE . 16.3 mmt -61.15 -49.71 76.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.1 mt-10 -37.69 -65.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -36.24 -57.54 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 94' ' ' ILE . 98.1 t -42.49 -46.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 98' ' ' ILE . 8.5 t -70.61 -38.53 73.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' GLY . 19.0 mttm -53.37 -51.15 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -36.56 -63.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.623 ' HB2' HD13 ' A' ' 64' ' ' LEU . 39.7 t80 -61.52 -45.95 92.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 3.4 mt-10 -42.66 -41.0 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.91 -62.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.9 mp -84.81 -49.17 8.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.71 -62.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -40.6 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -72.29 -40.87 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 54' ' ' SER . 1.2 m-80 -122.22 101.68 40.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -60.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -46.72 -31.46 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.1 p -40.63 101.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.0 m -123.68 -1.47 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 66.44 167.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.34 128.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.9 p90 -172.57 177.99 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 164.61 14.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.884 HD11 HD12 ' A' ' 102' ' ' LEU . 1.5 mt -91.5 -46.37 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -53.13 -31.58 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -40.28 96.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -76.92 -46.38 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.701 ' CE2' ' CG2' ' A' ' 61' ' ' ILE . 14.2 m-30 -59.01 -24.52 62.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -24.36 67.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.93 -18.68 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.469 HD13 ' HG2' ' A' ' 95' ' ' LYS . 21.5 mt -67.76 -49.04 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.4 -30.71 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.6 -39.86 85.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.0 mt -49.0 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.676 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -86.06 -31.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 t70 168.64 107.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 tp -102.03 137.67 40.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -148.32 179.57 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' A' ' 94' ' ' ILE . 6.7 p -154.27 160.94 42.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 76' ' ' CYS . 2.6 mm? -122.65 125.54 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.476 HG21 ' CH2' ' A' ' 93' ' ' TRP . 20.7 t -103.77 132.02 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.62 113.25 25.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -109.71 112.57 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.67 -18.46 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -49.71 -52.77 28.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.8 p -128.0 15.16 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 39.46 61.42 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.4 t -135.85 -160.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' HD2' HD12 ' A' ' 77' ' ' LEU . 15.8 p90 -134.36 133.9 41.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -105.36 111.84 64.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.39 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 73.4 m-85 -107.97 147.16 31.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.55 168.09 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.775 ' HA ' HD12 ' A' ' 94' ' ' ILE . 7.0 ptmt -60.76 -34.87 75.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -49.26 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.599 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 75.2 t90 -52.05 -42.32 63.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.906 ' O ' HG22 ' A' ' 98' ' ' ILE . 6.8 mt -68.15 -54.44 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.473 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 32.5 mtmt -37.87 -32.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 94' ' ' ILE . 39.8 mm-40 -78.33 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.599 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -50.18 -51.41 44.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.906 HG22 ' O ' ' A' ' 94' ' ' ILE . 14.1 tt -55.27 -48.94 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 3.8 t80 -60.21 -50.45 73.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.98 -11.67 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -82.92 -23.94 33.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.884 HD12 HD11 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -88.4 -51.12 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 11.4 mmm180 -35.57 -42.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 7.7 ptm180 -78.27 -44.35 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.825 HG22 ' CD1' ' A' ' 14' ' ' LEU . 65.5 mt -123.15 119.24 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -119.24 123.64 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.923 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.46 -170.84 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.4 t -157.12 123.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.859 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 24.6 tp60 -124.74 95.8 41.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.98 -47.75 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -119.79 -140.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -37.88 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -51.68 153.86 3.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.97 -8.05 19.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.83 84.03 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.66 -42.89 1.08 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 21' ' ' PRO . 10.7 mtt180 -41.94 109.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 t -143.06 143.82 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.923 ' CD2' HD12 ' A' ' 14' ' ' LEU . 8.7 m-85 -119.05 168.49 10.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.5 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.81 121.58 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 28.7 m-85 -121.02 -178.45 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.2 -21.38 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.06 179.24 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.52 -47.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -52.61 -38.98 61.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.36 -41.57 97.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 3.6 m -61.12 -44.77 96.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.935 ' SD ' HG23 ' A' ' 94' ' ' ILE . 15.5 mmt -50.64 -50.36 54.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -37.3 -59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.81 -39.85 1.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' MET . 50.0 t -65.97 -47.55 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' HB2' HD11 ' A' ' 98' ' ' ILE . 6.9 t -66.26 -34.76 78.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . 24.3 mmtt -57.34 -52.1 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -37.57 -66.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.783 ' HB2' HD13 ' A' ' 64' ' ' LEU . 11.9 t80 -53.03 -49.94 65.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -45.58 -48.44 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.36 -66.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -52.58 -20.49 3.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.1 mp -81.48 -49.86 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.21 -61.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -41.36 49.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.83 -42.08 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 2.3 m-80 -114.99 97.66 48.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -63.52 -32.61 74.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -42.0 103.49 0.31 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m -120.97 0.9 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.22 168.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.52 133.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.7 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 31.1 p90 -174.91 157.22 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.64 154.75 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 102' ' ' LEU . 1.8 mt -72.49 -46.92 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.1 p -52.82 -26.77 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -42.69 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -71.25 -36.72 71.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 61' ' ' ILE . 14.6 m-30 -73.78 -23.74 59.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.29 -21.56 66.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -19.7 19.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.488 HD12 ' CD1' ' A' ' 65' ' ' PHE . 22.9 mt -66.18 -32.65 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.79 -18.8 58.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.37 161.59 30.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.859 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -70.46 -40.36 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t70 177.57 104.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.94 127.39 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 m -139.43 178.76 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.508 ' SG ' ' CZ3' ' A' ' 93' ' ' TRP . 22.9 p -155.56 145.78 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -114.63 134.48 55.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.75 138.77 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.4 129.67 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 7.9 ptm180 -124.09 104.55 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.95 -19.8 33.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -47.66 -56.19 7.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -120.74 0.04 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER 57.33 79.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.1 t -168.26 168.86 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.602 ' HD2' HD12 ' A' ' 77' ' ' LEU . 36.6 p90 -105.09 113.57 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 4.3 tm0? -84.67 113.22 47.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.499 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 49.6 m-85 -119.09 119.9 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.883 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.85 -40.28 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -50.52 -32.98 19.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.564 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 80.5 t90 -70.11 -43.87 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.935 HG23 ' SD ' ' A' ' 36' ' ' MET . 15.5 mt -61.89 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 34.3 mtmt -37.06 -38.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.816 ' O ' HG23 ' A' ' 100' ' ' VAL . 36.8 mm-40 -69.41 -53.11 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.564 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -58.34 -62.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 94' ' ' ILE . 15.0 tt -42.83 -50.96 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 103' ' ' ARG . 2.7 t80 -56.69 -49.22 75.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 96' ' ' GLU . 48.0 t -67.65 -12.76 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 36' ' ' MET . 0.1 OUTLIER -83.92 -23.77 31.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -88.14 -51.13 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 15.3 mmm180 -34.08 -46.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 ptm180 -74.22 -46.62 40.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.6 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.876 HG22 HD11 ' A' ' 14' ' ' LEU . 14.5 mt -121.62 126.02 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.91 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.9 tm? -121.44 127.44 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -128.31 -172.31 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -158.74 122.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 9.0 tp-100 -125.21 96.33 39.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.747 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.03 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 66.1 p -108.99 -147.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -29.34 8.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -64.34 148.79 95.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 18.2 Cg_endo -75.05 -9.12 20.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.09 95.89 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.25 -8.75 5.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 21' ' ' PRO . 18.0 ptt180 -79.59 133.93 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 14.7 t -147.47 153.71 39.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' HD1' HD12 ' A' ' 14' ' ' LEU . 11.0 m-85 -126.5 148.03 49.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.61 176.57 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.97 117.41 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -119.5 -179.75 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.11 -32.97 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 164.98 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.72 -45.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.3 p-10 -49.13 -37.63 22.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.406 ' SG ' HD23 ' A' ' 13' ' ' LEU . 5.7 t -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.926 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -39.47 -57.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.61 -57.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.71 -34.78 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 94' ' ' ILE . 73.8 t -80.53 -66.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 2.6 t -41.62 -47.25 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' MET . 16.7 mmmt -43.9 -52.89 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.628 ' SD ' HG21 ' A' ' 15' ' ' VAL . 32.0 mtm -34.28 -69.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.803 ' HB2' HD13 ' A' ' 64' ' ' LEU . 17.3 t80 -53.72 -47.46 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.17 -43.82 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.26 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -49.83 -22.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.587 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.2 mp -83.69 -47.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.59 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -41.46 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.67 -32.48 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -132.16 101.07 15.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -60.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -46.94 -31.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.7 p -41.2 101.59 0.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -124.18 -0.89 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.61 167.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -170.42 135.03 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 9.0 p90 -172.2 -174.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 61.8 m-20 -79.8 133.87 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -67.46 -23.32 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.37 -32.8 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 14.0 tp60 -73.06 -23.54 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.961 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.06 -42.0 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' A' ' 68' ' ' ILE . 13.0 m-30 -66.1 -18.66 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.85 -19.23 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -34.29 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 65' ' ' PHE . 33.8 mt -52.5 -39.86 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.43 -42.95 82.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -43.57 -37.09 2.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -54.83 161.47 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -76.93 -30.6 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.16 104.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 3.7 tp -98.42 142.15 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -147.39 178.93 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.695 ' O ' HD13 ' A' ' 77' ' ' LEU . 4.7 p -156.13 166.91 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.695 HD13 ' O ' ' A' ' 76' ' ' CYS . 1.8 mm? -128.16 134.95 49.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.0 t -113.4 123.89 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 5.6 t80 -88.94 118.34 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -116.92 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -46.09 -27.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 -39.44 58.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.7 p -124.84 5.73 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER 40.01 76.19 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -167.43 164.73 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.624 ' HD2' HD12 ' A' ' 77' ' ' LEU . 18.0 p90 -109.99 132.77 53.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.594 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.9 mm100 -106.58 112.82 63.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.629 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.02 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 79.4 m-85 -107.51 126.1 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -61.32 176.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.876 ' HA ' HD12 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -67.39 -39.92 85.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -49.44 -28.01 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.59 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 60.8 t90 -75.96 -57.24 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 107.982 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.995 ' O ' HG22 ' A' ' 98' ' ' ILE . 5.4 mt -49.97 -39.89 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.4 mtmt -56.03 -38.59 70.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -74.3 -12.46 60.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -99.11 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.995 ' O ' HD22 ' A' ' 102' ' ' LEU . 3.6 tt -39.4 -47.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.616 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -54.18 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.616 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 3.3 p -62.38 -34.8 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 36' ' ' MET . 1.0 OUTLIER -51.57 -44.58 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.995 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -73.76 -41.38 62.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -55.6 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.4 ptt180 -65.91 -38.96 90.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.428 HG21 ' HB2' ' A' ' 35' ' ' CYS . 7.0 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 14' ' ' LEU . 13.5 mt -108.25 123.18 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.81 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -119.14 123.23 43.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.975 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -124.36 175.64 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 74' ' ' LEU . 1.2 t -147.86 128.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.806 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 8.8 tp-100 -127.04 97.67 31.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 72.3 p -121.44 -141.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -37.71 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -57.85 149.95 51.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.02 -13.89 21.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 pt-20 -72.84 86.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 -19.31 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -74.21 125.12 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -147.9 141.5 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.975 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.2 m-85 -108.25 164.27 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -135.81 177.24 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.25 137.4 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 99.7 m-85 -146.4 174.55 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -114.72 -37.34 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.41 135.04 42.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.602 HG12 ' SD ' ' A' ' 36' ' ' MET . 41.3 t -52.4 -40.27 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.57 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 66.6 mm-40 -38.37 -46.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 11' ' ' THR . 39.8 t -57.2 -54.86 42.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.859 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -50.52 -60.56 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -38.58 -60.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.41 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.454 HG21 HG21 ' A' ' 94' ' ' ILE . 41.9 t -68.78 -58.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.7 t -47.77 -44.96 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -46.88 -53.53 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.656 ' SD ' HG21 ' A' ' 15' ' ' VAL . 17.4 mtm -34.71 -72.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.778 ' HB2' HD13 ' A' ' 64' ' ' LEU . 29.9 t80 -50.6 -46.15 57.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.1 -46.82 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.76 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -49.39 -23.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.695 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.4 mp -82.48 -48.38 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.33 -61.81 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -41.76 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.43 -42.06 75.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -117.02 103.07 52.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -54.11 -36.31 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.78 99.67 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -123.59 0.47 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.43 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.539 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.09 130.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.695 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.5 p90 -171.26 177.84 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.68 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 1.009 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -61.86 -40.43 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -21.56 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -88.35 -44.56 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.778 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -49.6 -49.06 48.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -64.54 -28.0 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -25.11 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -90.17 -28.92 18.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 71' ' ' LEU . 18.2 mt -60.87 -36.26 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -69.45 -40.09 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.11 -39.32 63.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.741 HD13 HD13 ' A' ' 74' ' ' LEU . 31.4 mt -53.29 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -77.06 -39.55 49.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.6 t70 173.27 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.741 HD13 HD13 ' A' ' 71' ' ' LEU . 4.8 tp -104.74 132.18 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.574 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -142.12 170.73 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.645 ' C ' HD22 ' A' ' 77' ' ' LEU . 7.5 p -158.36 162.88 37.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 76' ' ' CYS . 2.5 mm? -130.64 139.01 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.85 130.9 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -95.84 118.16 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLN . 1.4 ptp180 -117.98 116.42 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -11.11 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -48.46 80.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.9 p -118.61 -3.67 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.9 mm-40 53.75 61.35 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -153.9 165.32 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.607 ' HD2' HD12 ' A' ' 77' ' ' LEU . 33.6 p90 -104.57 113.48 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.622 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.58 113.54 49.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.623 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 75.2 m-85 -130.08 132.22 46.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.69 175.34 2.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.3 OUTLIER -61.46 -40.81 95.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -47.89 50.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.609 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 57.9 t90 -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.043 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.638 ' O ' HG22 ' A' ' 98' ' ' ILE . 4.1 mt -66.94 -53.95 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 94' ' ' ILE . 26.4 mtmt -39.23 -33.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 100' ' ' VAL . 5.2 mm-40 -79.87 -55.66 4.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -50.97 -58.97 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.648 ' O ' HD22 ' A' ' 102' ' ' LEU . 19.4 tt -39.17 -58.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.529 ' N ' HG23 ' A' ' 98' ' ' ILE . 6.5 t80 -53.32 -51.45 62.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 96' ' ' GLU . 67.2 t -61.45 -24.28 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 36' ' ' MET . 0.0 OUTLIER -74.34 -31.95 62.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -78.78 -33.33 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 17.1 mmm180 -53.96 -52.82 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.4 ptm180 -69.61 -48.07 61.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLN . . . . . 0.428 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.3 mt-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.835 HG22 ' CD1' ' A' ' 14' ' ' LEU . 26.4 mt -97.9 124.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.705 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -121.16 124.1 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.835 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -132.06 -173.7 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.587 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.7 t -156.3 142.47 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 6.1 tp-100 -143.94 95.02 5.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.806 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.94 -49.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 73.2 p -109.71 -142.33 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -131.48 33.49 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -111.28 148.43 38.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.98 21.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -86.12 -8.57 57.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.13 63.34 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.32 101.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -123.57 148.81 46.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.812 ' CD2' HD12 ' A' ' 14' ' ' LEU . 3.8 m-85 -109.84 164.98 12.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.06 177.29 9.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.2 135.49 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -125.84 173.47 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -82.47 -56.72 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.14 160.81 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.31 -48.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 36.7 m-20 -48.04 -44.31 31.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -60.47 -42.78 96.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.88 -35.8 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' HG23 ' A' ' 94' ' ' ILE . 15.9 mmt -67.63 -48.6 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -38.2 -69.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.49 -58.43 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.7 t -45.29 -49.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLU . 44.3 t -61.38 -42.37 98.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' MET . 12.5 mttt -50.42 -51.25 48.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' HG21 ' A' ' 15' ' ' VAL . 22.2 mtm -35.11 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.648 ' CB ' HD13 ' A' ' 64' ' ' LEU . 41.1 t80 -52.9 -45.0 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.21 -44.83 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.58 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -53.21 -20.44 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -38.68 -61.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -39.68 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -73.34 -41.91 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -113.69 107.46 52.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -75.01 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -38.65 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -36.62 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -75.02 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -124.89 0.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 68.11 168.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -172.34 133.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.3 p90 -169.74 -173.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 83.0 m-20 -82.5 119.87 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -45.16 -37.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -42.28 83.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 8.9 mm-40 -57.76 -36.91 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -59.08 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.542 ' HA ' HD12 ' A' ' 68' ' ' ILE . 17.9 m-30 -66.64 -20.02 65.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.4 -20.68 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -95.49 -37.4 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 65' ' ' PHE . 11.7 mt -50.52 -54.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.51 -34.76 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' PHE . 18.2 t0 -56.47 -42.28 77.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.5 mt -47.08 161.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -77.52 -35.22 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 170.04 107.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 75' ' ' SER . 9.0 tp -97.88 147.92 23.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.442 ' H ' HD12 ' A' ' 74' ' ' LEU . 2.6 m -145.76 179.02 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.596 ' O ' HD13 ' A' ' 77' ' ' LEU . 2.1 p -157.95 158.26 34.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -125.19 124.33 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CH2' ' A' ' 93' ' ' TRP . 51.6 t -111.06 132.02 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -108.7 110.93 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.93 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -43.36 -55.27 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.464 ' OG1' HG22 ' A' ' 85' ' ' THR . 66.2 p -127.47 16.31 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 40.23 65.45 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.464 HG22 ' OG1' ' A' ' 83' ' ' THR . 3.7 t -143.95 167.55 22.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.633 ' HD2' HD12 ' A' ' 77' ' ' LEU . 29.0 p90 -105.24 118.9 37.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.4 mm100 -93.03 112.25 55.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.471 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 69.8 m-85 -110.94 133.3 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.758 ' HA ' HD12 ' A' ' 94' ' ' ILE . 6.3 ptmt -88.18 -31.46 19.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 1.3 t0 -60.78 -26.61 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.606 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 82.4 t90 -75.52 -32.84 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 91' ' ' LYS . 30.0 mt -72.05 -56.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.8 mtmt -38.42 -36.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.612 ' O ' HG12 ' A' ' 100' ' ' VAL . 8.5 mm-40 -66.03 -62.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -48.3 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.991 ' O ' HD22 ' A' ' 102' ' ' LEU . 10.6 tt -39.1 -47.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.619 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -62.87 -67.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.619 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -54.54 -19.91 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -69.75 -40.24 76.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -77.14 -30.51 55.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -66.1 -47.46 74.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -35.95 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . 0.569 ' OG1' HG22 ' A' ' 32' ' ' VAL . 1.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.817 HG22 ' CD1' ' A' ' 14' ' ' LEU . 25.9 mt -98.1 122.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.848 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.1 tm? -119.69 125.61 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . 0.982 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.17 -169.98 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.7 t -158.47 124.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.8 87.28 56.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HB3' HD23 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.97 -37.42 2.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -146.6 161.44 40.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -31.96 71.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 151.57 68.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -8.58 20.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.94 85.23 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.57 39.36 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -122.0 130.94 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t -173.21 153.75 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.982 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.0 m-85 -116.13 175.6 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.53 171.75 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -152.02 133.25 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.6 -20.25 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -179.85 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG22 ' OG1' ' A' ' 11' ' ' THR . 2.6 t -91.86 -46.43 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.6 p-10 -51.68 -35.36 42.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.4 -37.72 87.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.27 -45.15 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' MET . . . . . 0.796 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.8 mmt -55.35 -53.12 60.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.7 tt0 -38.39 -52.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.447 ' HA2' ' CD ' ' A' ' 41' ' ' LYS . . . -50.22 -42.07 40.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG22 HD21 ' A' ' 74' ' ' LEU . 75.5 t -59.45 -27.14 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -90.48 -20.31 22.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' CD ' ' HA2' ' A' ' 38' ' ' GLY . 14.4 mttm -64.71 -69.87 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 39' ' ' VAL . 5.7 ptp -35.79 -33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.619 ' CG ' HD13 ' A' ' 64' ' ' LEU . 58.4 t80 -77.93 -61.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.17 -33.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.85 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -46.5 -25.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.3 mp -84.28 -48.13 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.85 -61.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -42.57 31.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -72.28 -31.89 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.9 m-80 -131.53 102.71 15.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -61.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' SER . 15.0 m120 -45.82 -34.04 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 25.9 p -38.38 99.13 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -74.96 -44.46 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -123.97 -1.47 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.38 167.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -171.94 136.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 5.3 p90 -167.57 -170.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -90.13 132.11 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.71 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -56.47 -34.6 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -68.34 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -81.63 -58.13 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.852 HD21 HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -45.56 -47.8 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' CD1' HD12 ' A' ' 68' ' ' ILE . 14.9 m-30 -65.82 -30.62 71.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' GLN . 1.4 t0 -51.86 -23.85 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -94.32 -38.89 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 4.5 mt -45.1 -41.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.69 -41.62 82.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' PHE . 22.0 t70 -47.38 -45.6 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 17' ' ' PRO . 52.6 mt -47.61 171.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 16' ' ' GLN . . . -84.01 -25.12 30.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER 155.99 119.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.541 HD21 HG22 ' A' ' 39' ' ' VAL . 9.5 tp -97.93 129.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' SER . . . . . 0.477 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 1.6 m -131.02 162.98 28.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 10.5 t -151.87 151.7 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.2 mm? -118.27 138.97 52.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 7.2 t -116.34 158.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' TYR . . . . . 0.926 ' CZ ' ' HB2' ' A' ' 81' ' ' ALA . 4.3 t80 -78.62 140.05 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.728 ' H ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -146.64 55.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ALA . . . . . 0.926 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . . . -38.04 -31.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 80' ' ' ARG . 11.3 m-20 -40.23 -42.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' THR . . . . . 0.803 HG23 HG22 ' A' ' 85' ' ' THR . 0.1 OUTLIER -118.62 -22.17 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.27 53.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 83' ' ' THR . 1.7 t -131.06 -119.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' TYR . . . . . 0.576 ' H ' HG23 ' A' ' 85' ' ' THR . 4.2 p90 -161.09 128.16 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -104.4 104.46 44.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.564 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 148.89 36.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 96.5 m-85 -147.36 121.26 9.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.25 -177.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 94' ' ' ILE . 3.2 ptpp? -72.02 -37.63 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -48.03 -48.6 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 97' ' ' LYS . 77.4 t90 -56.76 -42.71 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ILE . . . . . 0.965 ' O ' HG22 ' A' ' 98' ' ' ILE . 10.2 mt -65.67 -56.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 42.1 mtmt -43.14 -39.39 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' GLU . . . . . 0.921 ' O ' HG23 ' A' ' 100' ' ' VAL . 19.0 mm-40 -66.84 -46.6 74.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -64.41 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ILE . . . . . 0.965 HG22 ' O ' ' A' ' 94' ' ' ILE . 2.6 tt -39.51 -44.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' TYR . . . . . 0.71 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.2 t80 -60.75 -47.41 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 96' ' ' GLU . 39.7 t -69.92 -28.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -57.64 -34.01 68.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.882 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.65 -29.29 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 22.2 mmm180 -60.3 -50.83 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.05 -44.13 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.33 145.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 110.053 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.26 103.12 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 -124.41 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -160.08 153.9 22.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 178.88 125.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.6 m -113.64 142.22 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -132.59 -176.78 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -108.77 174.29 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -114.84 100.26 8.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.585 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 m -95.49 156.66 16.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.831 HG22 ' CD1' ' A' ' 14' ' ' LEU . 12.6 mt -125.97 132.8 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.864 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -119.2 125.13 48.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.045 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -129.79 163.22 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.769 HG22 HD11 ' A' ' 74' ' ' LEU . 2.0 t -139.97 130.52 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.702 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 40.5 tp60 -131.97 95.62 21.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.92 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 39.5 p -116.33 -145.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -27.91 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -58.63 152.21 47.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.89 8.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.49 99.44 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.01 -28.65 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -87.66 131.33 34.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 t -141.5 152.21 43.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 1.045 ' CD2' HD12 ' A' ' 14' ' ' LEU . 5.7 m-85 -115.04 154.92 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -131.51 177.45 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -137.32 141.04 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 95.6 m-85 -143.55 176.34 9.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.12 -52.47 3.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -100.3 163.86 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG13 ' CE ' ' A' ' 36' ' ' MET . 3.2 t -70.45 -47.74 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.549 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -48.2 -54.25 14.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 56.6 mm-40 -49.53 -54.3 18.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 3.3 t -42.81 -57.73 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.761 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.0 mpp? -56.65 -37.74 71.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.89 -45.83 10.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.94 -28.56 58.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.538 HG13 ' CE ' ' A' ' 42' ' ' MET . 47.5 t -74.01 -66.17 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -41.8 -49.84 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.6 mmtp -41.43 -53.03 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.538 ' CE ' HG13 ' A' ' 39' ' ' VAL . 40.8 mtm -35.44 -48.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.751 ' HB2' HD13 ' A' ' 64' ' ' LEU . 9.6 t80 -74.06 -53.28 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.4 mt-10 -43.02 -62.78 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -40.38 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 1.3 t-80 -69.53 -20.92 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.712 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.3 mp -86.66 -45.25 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.01 -64.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -45.29 -42.51 9.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 39.2 mtp -73.13 -34.74 66.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.6 m120 -122.56 100.59 41.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' PRO . 34.7 m-80 -56.03 -35.24 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -38.5 98.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.96 -42.04 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.6 m -122.35 -0.25 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.14 167.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.43 133.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.712 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 27.8 p90 -173.08 177.29 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.69 130.75 41.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 102' ' ' LEU . 1.4 tt -63.66 -24.82 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 -36.52 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -65.1 -21.25 66.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -75.41 -38.05 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.7 m-30 -71.07 -16.46 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 -17.77 56.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.62 -19.85 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.776 ' HA ' HD12 ' A' ' 71' ' ' LEU . 11.0 mt -71.11 -31.52 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.2 -48.43 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -44.04 -40.01 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 1.061 HD13 HD13 ' A' ' 74' ' ' LEU . 11.8 mt -54.15 172.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -81.64 -42.31 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 177.64 120.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.061 HD13 HD13 ' A' ' 71' ' ' LEU . 1.5 tp -98.64 135.91 39.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -138.76 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.438 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 7.9 p -155.52 151.15 27.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -115.42 119.43 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.3 t -107.29 123.87 62.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -90.42 118.98 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 3.0 ptt180 -108.09 104.82 14.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.16 -26.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 10.2 t0 -40.74 -57.2 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -125.9 13.72 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 44.02 60.58 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -140.46 159.47 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.578 ' HD2' HD12 ' A' ' 77' ' ' LEU . 25.6 p90 -105.51 124.35 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 mm100 -102.4 117.29 61.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.441 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.02 108.93 2.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 20.9 m-30 -98.01 179.55 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -98.89 176.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.983 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.7 ptpt -66.19 -41.26 90.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -47.63 30.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.514 ' CE2' ' HE3' ' A' ' 97' ' ' LYS . 11.0 t90 -56.5 -33.35 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.983 HD12 ' HA ' ' A' ' 91' ' ' LYS . 9.2 mt -78.83 -42.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 68' ' ' ILE . 32.7 mtmt -61.27 -15.22 32.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 100' ' ' VAL . 5.7 mm-40 -91.72 -53.67 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -54.82 -55.06 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.806 ' O ' HD22 ' A' ' 102' ' ' LEU . 18.9 tt -42.62 -58.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.602 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.7 t80 -48.91 -48.15 42.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 96' ' ' GLU . 25.9 t -67.75 -30.87 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -63.07 -28.58 70.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.89 -57.91 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -67.2 -42.12 84.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -34.84 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.99 -86.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -141.88 -76.73 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.24 -67.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.75 -63.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.2 72.63 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.09 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -42.36 145.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.88 -161.51 9.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.19 170.61 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -136.21 159.21 42.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -129.5 154.92 46.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.42 162.63 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.2 p -120.75 139.72 52.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 40.5 m80 -144.85 -61.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m -108.36 156.9 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.758 HG22 ' CD1' ' A' ' 14' ' ' LEU . 57.6 mt -128.34 128.79 68.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -118.93 124.06 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.758 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.24 -176.08 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -152.73 142.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 33.6 tp60 -141.25 96.03 7.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.648 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.04 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.5 p -115.31 -142.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -129.07 30.9 4.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -113.59 149.8 42.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.87 19.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 56.39 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 169.07 -31.0 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLY . 7.2 t -127.7 162.37 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 2.2 m-85 -144.35 159.12 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -122.71 168.48 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -137.23 117.29 13.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -125.9 -178.29 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.78 -29.52 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.58 169.77 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.33 -48.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 10.2 p30 -52.48 -35.41 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.6 -43.79 97.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.3 m -61.29 -45.41 94.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.573 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.6 mmt -50.96 -54.46 24.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.0 tt0 -37.49 -57.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.75 -46.17 4.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.34 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 6.0 t -49.55 -47.78 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.0 mmtp -42.67 -52.49 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.424 ' SD ' HG21 ' A' ' 15' ' ' VAL . 35.8 mtm -35.84 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.604 ' HB2' HD13 ' A' ' 64' ' ' LEU . 2.8 t80 -75.6 -54.21 7.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.3 mt-10 -41.47 -61.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.34 -33.35 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' TYR . 10.7 t60 -78.33 -23.22 47.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.623 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.706 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -84.69 -45.99 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -37.47 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -41.31 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 46.1 mtp -72.55 -33.43 66.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.3 m120 -126.17 102.45 27.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.3 m120 -52.33 -36.73 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -41.47 100.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.8 t -120.63 0.1 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.68 167.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -177.43 133.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.706 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 23.8 p90 -170.2 -177.94 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.5 125.96 30.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.8 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -56.15 -30.42 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -31.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -71.08 -22.91 62.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.41 -39.12 33.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 14.7 m-30 -69.89 -19.37 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -23.49 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -28.42 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.479 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 17.1 mt -58.64 -46.93 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.19 -44.75 83.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -42.03 -45.77 3.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.4 mt -47.69 157.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -67.07 -32.15 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 t0 163.29 111.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.88 143.16 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -142.85 179.47 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.7 p -153.63 157.67 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.0 mm? -122.0 110.14 15.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.3 t -97.87 133.46 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 4.3 t80 -91.81 137.91 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -131.1 91.89 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -48.92 -23.74 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -51.97 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.5 p -121.03 -5.07 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 60.66 73.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -161.81 163.57 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' HD2' HD12 ' A' ' 77' ' ' LEU . 25.6 p90 -106.62 123.74 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.9 mm100 -99.71 117.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.47 2.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 13.8 m-30 -99.92 179.94 4.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -108.29 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.809 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -67.13 -33.52 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -53.54 -33.0 53.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.638 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 35.3 t90 -76.4 -29.22 57.02 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.971 ' O ' HG22 ' A' ' 98' ' ' ILE . 21.1 mt -76.53 -51.3 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 46.3 mtmt -47.45 -24.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.858 ' O ' HG23 ' A' ' 100' ' ' VAL . 6.3 mm-40 -79.09 -47.11 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.638 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -65.67 -64.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.979 ' O ' HD22 ' A' ' 102' ' ' LEU . 3.4 tt -38.56 -45.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.8 ' CD2' HG21 ' A' ' 61' ' ' ILE . 3.0 t80 -60.02 -54.96 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 96' ' ' GLU . 21.6 t -62.36 -27.21 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -64.16 -30.79 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.979 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.0 -27.96 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.6 mmm180 -58.49 -57.07 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 6.0 ptm180 -68.74 -47.69 65.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -41.71 -40.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.36 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.28 -76.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 74.66 -62.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.87 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 89.37 79.08 1.32 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -123.33 153.53 40.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 111.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.01 71.36 1.96 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.51 105.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.71 169.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -55.95 146.39 22.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mtm -60.45 135.31 57.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -177.1 132.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 1.4 p-80 -155.23 133.1 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.617 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 77' ' ' LEU . 22.6 m -90.89 142.38 27.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.817 HG22 ' CD1' ' A' ' 14' ' ' LEU . 72.6 mt -104.85 136.2 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -130.84 123.95 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.817 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.32 179.79 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -150.14 126.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.577 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 8.2 tp-100 -128.99 94.41 34.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.9 p -117.71 -140.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.43 30.51 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.81 150.86 41.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.69 76.79 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.23 43.28 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 102.93 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.3 t -128.85 177.25 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 3.7 m-85 -139.43 179.91 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.83 172.03 14.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.45 126.21 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' HIS . 82.4 m-85 -126.94 -178.57 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.73 -39.22 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 -176.96 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.24 -50.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 101' ' ' LEU . 1.2 p30 -48.52 -52.59 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 8.9 mm-40 -46.31 -47.03 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.48 -46.95 83.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' MET . . . . . 1.0 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.9 mmt -55.81 -48.82 74.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.2 mt-10 -37.84 -65.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.7 -52.66 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 70.6 t -54.57 -48.76 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.7 t -64.61 -37.53 87.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.8 mmtp -60.64 -53.04 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -36.26 -67.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.577 ' CB ' HD13 ' A' ' 64' ' ' LEU . 49.6 t80 -52.88 -49.29 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.27 -42.73 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.2 -53.51 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.49 -18.1 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.714 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -86.66 -49.76 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HG2' HD11 ' A' ' 57' ' ' ILE . 22.3 mttt -45.19 -52.51 9.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.14 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.58 -39.12 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 1.9 m-80 -112.97 96.14 37.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.797 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -65.14 -32.99 74.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -39.41 107.18 0.43 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -125.28 0.65 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.596 HD11 ' HG2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER 68.29 168.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.537 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.99 136.35 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.714 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -171.38 -177.83 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.04 126.22 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -53.71 -34.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -62.08 -33.02 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.11 -46.21 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.979 HD21 HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -52.7 -46.0 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 95' ' ' LYS . 17.3 m-30 -65.94 -30.01 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -52.01 -22.99 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -22.28 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 95' ' ' LYS . 19.8 mt -63.92 -56.96 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.49 -45.66 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -41.38 -45.49 3.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 46.8 mt -49.19 165.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -77.44 -29.08 52.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 165.05 108.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.39 131.61 46.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 178.62 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.71 ' SG ' HD11 ' A' ' 94' ' ' ILE . 19.6 p -158.44 161.92 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.258 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -129.28 130.82 46.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.681 HG21 ' CH2' ' A' ' 93' ' ' TRP . 33.7 t -110.77 131.07 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.82 127.33 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.433 ' CD ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -125.85 87.58 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.0 -28.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -49.77 -43.29 48.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.433 ' OG1' ' CD ' ' A' ' 80' ' ' ARG . 41.0 p -117.48 -8.14 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 55.18 65.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 t -160.51 170.28 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.629 ' HD2' HD12 ' A' ' 77' ' ' LEU . 27.6 p90 -115.11 129.12 56.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 8.3 mm100 -97.55 111.47 58.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.0 108.1 2.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 98.4 m-85 -106.92 156.53 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -91.34 168.46 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -55.49 -37.58 68.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -46.72 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.681 ' CH2' HG21 ' A' ' 78' ' ' VAL . 51.9 t90 -53.83 -54.38 39.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.047 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.01 ' O ' HG22 ' A' ' 98' ' ' ILE . 3.4 mt -57.39 -54.97 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.529 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 26.1 mtmt -34.95 -35.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' ILE . 4.4 mm-40 -76.64 -55.95 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -52.88 -53.91 42.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.01 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -52.7 -44.13 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.467 ' HD2' HG23 ' A' ' 100' ' ' VAL . 18.9 t80 -65.7 -60.68 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 99' ' ' TYR . 61.3 t -57.29 -24.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.485 ' CD1' ' CB ' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.93 -35.87 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.971 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.8 -33.86 27.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -56.91 -46.12 82.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 13.0 ptm180 -74.62 -48.51 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.7 mt-30 -43.55 -30.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -42.29 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' GLN . 6.0 mm100 -141.61 -45.25 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' GLN . 1.4 tt0 -37.43 -66.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -135.48 92.04 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.4 69.82 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -176.38 149.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -174.89 92.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.52 88.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.82 154.1 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.74 165.85 12.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -128.05 26.38 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.27 -176.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -143.99 155.44 44.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -174.08 -73.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.566 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 32' ' ' VAL . 37.0 m -93.41 156.73 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.729 HG22 ' CD1' ' A' ' 14' ' ' LEU . 42.5 mt -130.74 131.28 64.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.619 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.5 tm? -126.22 123.77 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.808 HD13 ' N ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -125.69 -179.57 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.677 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -145.27 141.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.513 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 33.3 tp60 -144.76 95.25 5.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.838 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 6.3 p -107.34 -143.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -37.81 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -54.51 155.99 6.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -8.65 20.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.77 105.55 17.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 28.41 2.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.05 144.81 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 t -163.29 169.13 19.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -129.62 171.3 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.43 176.78 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -157.32 135.65 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 29' ' ' TYR . 6.2 m-85 -134.84 179.89 6.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -82.05 -36.81 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -178.19 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.461 HG22 ' OG1' ' A' ' 11' ' ' THR . 2.5 t -91.74 -53.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 3.3 p-10 -47.62 -41.6 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.6 mm-40 -55.85 -47.12 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.37 -33.36 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.926 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.5 mpp? -74.41 -29.18 61.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.11 -47.0 65.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -40.18 66.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -56.28 -68.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -43.0 -52.36 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.6 mmtp -41.1 -55.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.677 ' SD ' HG21 ' A' ' 15' ' ' VAL . 31.2 mtm -35.71 -44.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.669 ' HB2' HD13 ' A' ' 64' ' ' LEU . 26.5 t80 -79.81 -52.94 7.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.2 mm-40 -47.63 -55.34 9.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -50.3 -30.36 11.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 22.9 t60 -81.29 -25.66 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.581 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -79.06 -47.99 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.36 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -40.34 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 8.7 mmm -72.8 -34.98 67.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 5.3 m120 -129.45 102.22 18.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -46.45 -31.75 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 9.9 p -43.7 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.81 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.3 t -124.48 -0.99 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 66.25 167.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.53 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -179.91 134.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.711 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 24.1 p90 -170.81 -174.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.54 124.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.936 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -60.88 -21.98 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 m -75.84 -16.6 60.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 tp60 -90.76 -34.4 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -63.52 -43.41 97.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 68' ' ' ILE . 19.2 m-30 -66.55 -31.32 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -47.15 -26.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.402 ' N ' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -85.64 -33.64 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' HG2' ' A' ' 95' ' ' LYS . 14.9 mt -56.52 -41.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -43.66 98.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -45.15 -47.86 12.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.1 mt -44.07 160.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -73.6 -41.62 62.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.4 t70 177.32 105.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.5 tp -97.71 142.15 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' HD22 ' A' ' 14' ' ' LEU . 20.0 m -143.84 178.74 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.615 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 22.5 p -157.22 153.89 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -117.17 127.02 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.16 125.36 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -88.11 129.74 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.43 109.62 13.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -18.45 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -55.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.3 p -111.61 -11.04 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 63.0 59.56 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 t -149.11 -175.02 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' HD2' HD12 ' A' ' 77' ' ' LEU . 19.6 p90 -118.56 122.46 42.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.94 110.13 52.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 108.72 2.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -101.93 162.74 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -85.39 172.8 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.923 ' HA ' HD12 ' A' ' 94' ' ' ILE . 6.1 ptmt -64.14 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 3.0 t70 -57.16 -38.03 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.618 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 18.4 t90 -64.74 -22.63 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.926 HG23 ' SD ' ' A' ' 36' ' ' MET . 11.0 mt -88.1 -39.88 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HG2' HD13 ' A' ' 68' ' ' ILE . 30.9 mtmt -58.74 -15.75 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 33.6 mm-40 -90.69 -59.59 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -49.09 -55.63 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.871 ' O ' HD22 ' A' ' 102' ' ' LEU . 17.9 tt -41.92 -58.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.509 ' H ' HG23 ' A' ' 98' ' ' ILE . 10.0 t80 -52.99 -55.14 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.12 -27.51 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -70.0 -31.66 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.936 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -82.91 -24.5 33.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.9 mmm180 -64.08 -58.32 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -40.6 88.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -35.86 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.72 -73.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -146.45 -70.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 -65.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.3 79.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 111' ' ' LYS . . . -126.51 57.77 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -95.28 -58.46 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -131.35 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.22 -174.86 29.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.31 64.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.53 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.1 p -110.33 176.22 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -130.78 167.7 18.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.8 p -116.49 119.96 37.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 -75.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m -90.54 132.12 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.833 HG22 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -104.86 129.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.5 tm? -121.34 126.29 49.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.084 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.22 179.74 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.9 t -152.27 120.56 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.904 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 11.7 tp60 -121.91 95.28 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.98 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 64.4 p -126.1 -139.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -117.16 -37.8 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -47.91 149.02 2.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.86 21.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 97.64 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.47 -42.7 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.72 117.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -144.41 137.66 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 1.084 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.3 m-85 -113.24 174.12 6.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -145.64 175.83 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -142.76 134.3 26.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 89.5 m-85 -138.62 -178.86 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -113.67 -35.26 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.58 144.09 42.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 ' SD ' ' A' ' 36' ' ' MET . 24.5 t -57.49 -32.45 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.504 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.44 -52.42 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.2 mm-40 -47.43 -36.42 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.5 t -63.53 -67.42 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.954 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -36.77 -51.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -61.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.94 -44.94 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.77 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -41.5 -48.96 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' MET . 37.2 mmtt -40.66 -52.09 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' LYS . 45.2 mtm -34.97 -72.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.721 ' HB2' HD13 ' A' ' 64' ' ' LEU . 7.3 t80 -50.63 -48.66 57.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.76 -45.56 40.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.64 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -48.94 -23.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.0 mp -82.81 -48.02 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.82 -63.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -42.53 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -115.7 102.62 54.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -57.74 -35.05 70.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.78 100.38 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.42 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.3 m -124.26 0.97 8.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.73 167.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -178.14 133.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.71 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.1 p90 -171.41 -169.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -81.22 123.97 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.743 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -60.62 -28.37 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -26.98 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.01 -14.42 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -81.27 -44.49 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 68' ' ' ILE . 18.3 m-30 -68.16 -15.79 63.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.66 47.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -19.87 19.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 23.4 mt -65.49 -40.56 88.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.75 -29.06 70.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.72 -26.93 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 91.0 mt -65.29 164.55 13.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.904 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -81.43 -40.2 23.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 44.9 t0 177.32 106.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.78 138.55 34.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.411 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -148.21 178.41 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.95 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.709 ' SG ' HD11 ' A' ' 94' ' ' ILE . 1.7 p -153.58 163.28 40.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.7 mm? -127.11 106.97 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' CH2' ' A' ' 93' ' ' TRP . 45.4 t -87.54 127.25 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -90.3 127.21 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.67 128.55 54.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.17 -12.26 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.36 -46.57 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.4 p -124.9 1.82 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 50.59 56.05 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 86' ' ' TYR . 12.8 t -135.66 -153.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.646 ' HD2' HD12 ' A' ' 77' ' ' LEU . 13.5 p90 -129.26 136.53 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -105.44 105.05 50.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.672 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 108.14 2.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.737 ' CD1' ' CD2' ' A' ' 93' ' ' TRP . 25.2 m-85 -106.49 153.92 21.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.89 164.76 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.885 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.26 -42.2 90.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -52.36 -45.83 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.737 ' CD2' ' CD1' ' A' ' 89' ' ' TYR . 74.9 t90 -53.7 -40.08 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.046 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 91' ' ' LYS . 6.5 mt -70.45 -52.79 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.41 ' HD3' HG21 ' A' ' 68' ' ' ILE . 40.9 mtmt -40.09 -38.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 100' ' ' VAL . 49.3 mm-40 -74.27 -43.88 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -62.99 -62.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.894 ' O ' HD22 ' A' ' 102' ' ' LEU . 15.4 tt -39.25 -53.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.233 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.743 ' CD2' HG21 ' A' ' 61' ' ' ILE . 3.3 t80 -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 96' ' ' GLU . 20.4 t -61.71 -32.86 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.954 HD22 ' HB3' ' A' ' 36' ' ' MET . 0.1 OUTLIER -60.32 -30.2 69.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.08 -27.15 30.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.7 mmm180 -59.99 -58.94 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.55 -45.63 78.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.21 -45.14 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.66 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -142.72 -75.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 74.04 -62.6 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.59 -61.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.61 61.24 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.04 165.03 16.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.47 171.15 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.55 -162.52 33.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.75 150.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -140.52 159.72 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -61.26 148.29 41.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.74 139.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -120.25 -40.78 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 54.71 -168.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.605 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.7 m -90.69 122.07 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.841 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.8 mt -96.55 136.97 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -127.47 123.16 35.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.841 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.77 -172.53 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.6 t -162.4 122.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 7.0 tp-100 -125.66 95.9 39.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.662 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.01 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.5 p -112.65 -143.96 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -129.78 30.95 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -112.99 147.14 36.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.46 20.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.07 79.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.42 -35.89 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.84 138.82 38.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -152.18 158.29 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.834 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.8 m-85 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -155.52 176.86 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.61 139.24 27.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.0 177.17 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 31' ' ' SER . 8.6 pt-20 -98.73 -38.34 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 41.2 m -119.55 160.18 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.7 t -72.71 -42.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.1 p-10 -55.58 -38.63 69.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -65.83 -37.8 87.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.73 -44.92 96.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 108.255 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.0 mmt -59.3 -46.76 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -37.62 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.72 -59.73 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -45.75 -47.63 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' GLU . 43.4 t -62.5 -39.58 93.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.3 mttm -54.21 -50.6 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.463 ' SD ' HG21 ' A' ' 15' ' ' VAL . 26.3 mtm -34.41 -71.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.798 ' HB2' HD13 ' A' ' 64' ' ' LEU . 15.1 t80 -51.92 -45.52 64.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -46.33 69.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.35 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -52.24 -21.55 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.568 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.642 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 3.6 mp -81.94 -48.69 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -38.33 -62.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -40.93 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.77 -38.96 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.7 m120 -125.46 101.64 30.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -49.05 -34.39 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 18.7 p -41.58 101.31 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.59 -1.85 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.57 167.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.532 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.29 134.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.642 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.7 p90 -171.04 -178.01 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 127.08 33.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.911 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -53.41 -39.29 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -30.19 54.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -76.49 -44.85 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -54.83 -49.2 71.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.764 ' CD1' HD12 ' A' ' 68' ' ' ILE . 18.5 m-30 -68.55 -15.68 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 21.2 t0 -58.48 -27.23 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -24.32 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' A' ' 65' ' ' PHE . 20.7 mt -56.68 -37.23 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.19 -33.59 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 74.2 mt -57.39 171.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.705 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -86.65 -40.55 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 177.19 109.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.03 140.85 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.76 179.2 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.621 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 7.0 p -157.1 160.54 38.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -127.16 115.45 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.54 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 35.2 t -100.22 143.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -98.1 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 84.48 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.07 -27.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.3 -38.67 42.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.432 ' OG1' HG22 ' A' ' 85' ' ' THR . 43.0 p -125.02 3.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 43.71 72.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.432 HG22 ' OG1' ' A' ' 83' ' ' THR . 15.1 t -167.91 164.82 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.611 ' HD2' HD12 ' A' ' 77' ' ' LEU . 37.3 p90 -109.3 116.7 32.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.86 111.48 53.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.508 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.617 ' CD2' ' CE2' ' A' ' 93' ' ' TRP . 18.5 m-85 -100.88 -179.56 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -100.07 -175.54 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.95 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.88 -33.31 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.62 -41.41 81.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.635 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 55.1 t90 -64.12 -33.0 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.046 ' O ' HG22 ' A' ' 98' ' ' ILE . 13.7 mt -75.19 -54.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 43.8 mtmt -43.71 -27.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 7.8 mm-40 -76.14 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.635 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.48 -55.44 10.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.046 HG22 ' O ' ' A' ' 94' ' ' ILE . 5.3 tt -50.93 -51.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 7.5 t80 -57.97 -55.23 37.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.87 -24.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.547 HD23 HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -72.91 -34.13 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.911 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -79.24 -29.39 42.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.0 mmm180 -56.18 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.1 ptm180 -67.05 -48.08 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -41.68 -37.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -43.86 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 108' ' ' GLN . 19.5 mt-30 -148.16 -44.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 107' ' ' GLN . 3.6 mp0 -52.74 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.15 -45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.75 -59.03 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -145.82 112.23 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.54 128.12 55.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.14 -166.86 11.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.93 170.46 18.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.84 176.3 5.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -157.6 156.4 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.3 mtt -95.18 147.16 23.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t 63.41 135.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -163.41 152.68 14.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.527 HG22 ' SG ' ' A' ' 35' ' ' CYS . 2.4 m -105.42 126.91 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.799 HG22 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -91.39 124.57 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -119.31 123.86 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.799 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -124.36 -174.82 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -153.17 138.36 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.634 HE22 ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -132.04 95.64 21.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -42.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 49.2 p -141.34 -63.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.634 ' N ' HE22 ' A' ' 16' ' ' GLN . 1.1 mmtt 164.39 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LYS . 23.8 mmt180 -38.11 144.16 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.02 -11.13 21.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.55 -13.34 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.63 53.07 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -158.31 120.8 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -150.07 176.45 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -137.95 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.87 172.93 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.53 126.8 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 93.5 m-85 -124.77 -178.61 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -93.07 -29.05 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.06 171.52 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 2.2 t -75.44 -52.11 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 69.4 m-20 -39.93 -58.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 8.5 mm-40 -40.55 -46.77 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.527 ' SG ' HG22 ' A' ' 11' ' ' THR . 76.0 m -58.35 -51.04 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.923 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.6 mmt -50.19 -32.04 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -60.73 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.93 -38.03 7.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 42' ' ' MET . 49.2 t -62.36 -70.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.625 ' SG ' HD22 ' A' ' 64' ' ' LEU . 3.3 t -42.71 -52.42 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' CYS . 8.8 mmtp -34.15 -50.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.0 mtm -36.21 -57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.793 ' HB2' HD13 ' A' ' 64' ' ' LEU . 9.5 t80 -67.39 -47.3 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -43.04 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 42' ' ' MET . 2.0 pt-20 -47.59 -45.66 27.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -59.69 -24.91 64.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -84.78 -46.07 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -37.96 -61.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -41.25 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.89 -41.48 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -116.87 104.38 51.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' PRO . 10.7 p30 -55.17 -36.46 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -38.98 99.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.98 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -120.24 0.13 10.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.07 167.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.97 132.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.8 p90 -166.81 170.62 12.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 6.3 m-20 -79.69 139.52 37.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.766 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -60.18 -25.35 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -16.38 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 21.7 mm-40 -86.45 -19.72 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -80.64 -39.2 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.698 ' HD1' HD12 ' A' ' 68' ' ' ILE . 23.2 m-30 -71.78 -8.96 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.69 -21.09 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -96.44 -32.62 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.727 HG21 ' HD2' ' A' ' 95' ' ' LYS . 24.7 mt -54.0 -25.73 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -77.22 -23.33 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' PHE . 8.8 t0 -75.16 -34.34 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.33 163.09 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.34 -38.57 50.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 164.81 112.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.5 tp -103.12 145.17 30.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.405 ' O ' HD22 ' A' ' 14' ' ' LEU . 22.1 m -148.83 178.76 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 15.9 t -154.22 156.16 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.6 mm? -119.0 136.96 53.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.94 123.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.3 128.62 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 ptp85 -125.95 101.68 6.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.19 -26.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -43.89 -55.36 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -117.57 -8.63 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 61.11 59.38 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.51 163.42 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 44.2 p90 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' ' 89' ' ' TYR . 6.8 tm0? -83.06 112.81 41.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.497 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.91 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.562 1.822 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CD1' ' CG ' ' A' ' 93' ' ' TRP . 32.7 m-85 -118.59 129.53 55.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' HD12 ' A' ' 94' ' ' ILE . 1.4 m120 -69.77 157.77 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' LEU . 7.3 pttp -44.58 -42.03 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -54.22 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.716 ' CG ' ' CD1' ' A' ' 89' ' ' TYR . 83.0 t90 -50.1 -47.66 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.923 HG23 ' SD ' ' A' ' 36' ' ' MET . 3.5 mp -62.73 -53.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.727 ' HD2' HG21 ' A' ' 68' ' ' ILE . 12.1 mtpt -41.32 -33.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 100' ' ' VAL . 51.8 mm-40 -72.6 -45.3 59.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -64.11 -63.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.954 ' O ' HD22 ' A' ' 102' ' ' LEU . 11.7 tt -40.88 -49.27 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.766 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.4 t80 -54.17 -47.97 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 96' ' ' GLU . 14.9 t -71.17 -29.73 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -59.65 -38.16 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.32 -37.84 60.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -63.58 -44.98 92.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -75.99 -33.6 59.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.4 -34.59 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.92 -67.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' A' ' 108' ' ' GLN . 4.4 mm-40 -143.32 -79.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 107' ' ' GLN . 0.3 OUTLIER 79.87 -70.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -147.75 103.26 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -139.25 60.05 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 m -153.1 160.75 42.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 0.769 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.08 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.54 68.88 1.02 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.1 175.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.89 142.25 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.6 p -85.25 136.21 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mtp -56.25 128.84 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -174.31 175.67 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 63.99 -173.3 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 m -94.22 126.76 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.828 HG22 ' CD1' ' A' ' 14' ' ' LEU . 16.0 mt -99.47 123.45 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.8 tm? -119.05 123.65 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 1.024 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.51 178.12 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.763 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -147.67 126.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.01 88.52 54.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HA ' HD23 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.94 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.5 p -138.48 172.05 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -79.71 52.39 1.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -121.26 122.77 28.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 20' ' ' ARG . 3.3 mt-10 -102.68 68.34 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.65 -39.44 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.0 131.37 31.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -151.01 147.95 27.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 1.024 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.9 m-85 -111.21 178.2 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.23 176.43 12.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.54 134.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -131.54 173.96 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.79 -48.05 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.6 m -105.0 165.72 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.43 -38.85 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.2 p-10 -54.5 -30.77 54.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.81 -48.92 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' HD23 ' A' ' 13' ' ' LEU . 7.8 t -46.26 -44.78 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.857 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.0 mmt -60.0 -49.21 78.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -38.85 -63.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.82 -38.91 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.421 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 47.7 t -71.75 -45.96 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' GLU . 38.0 t -63.85 -35.12 79.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' MET . 9.6 mmtp -61.63 -53.64 53.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.763 ' SD ' HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -35.24 -67.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CB ' HD13 ' A' ' 64' ' ' LEU . 59.1 t80 -53.73 -53.25 54.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.5 mt-10 -42.67 -46.54 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 47' ' ' LEU . 5.5 mm-40 -48.69 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -46.96 -24.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -83.65 -48.56 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -39.16 -59.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -40.03 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -71.77 -42.28 67.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.32 103.71 54.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' PRO . 15.2 m120 -55.46 -36.2 66.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -38.53 98.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.96 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -123.82 0.85 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.56 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.534 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -174.45 132.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.2 p90 -169.54 -176.74 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.92 120.26 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -50.87 -31.06 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.6 p -66.36 -34.56 78.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.6 tp60 -70.95 -49.65 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -45.24 -44.61 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' HD12 ' A' ' 68' ' ' ILE . 13.8 m-30 -66.34 -31.29 71.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLN . 3.1 t0 -51.54 -23.65 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -93.43 -22.85 18.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 65' ' ' PHE . 39.6 mt -67.98 -44.12 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.86 -31.49 72.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.5 -33.89 71.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 17' ' ' PRO . 67.0 mt -57.34 162.1 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -70.51 -44.3 67.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.3 t0 178.08 108.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 tp -100.24 139.5 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.96 179.16 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.666 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.8 p -157.28 164.07 38.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 76' ' ' CYS . 2.1 mm? -126.94 126.95 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.516 HG21 ' CH2' ' A' ' 93' ' ' TRP . 13.4 t -111.52 141.55 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -91.79 143.98 25.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLN . 10.9 ptm180 -142.09 109.93 5.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.87 -14.82 37.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -53.68 -49.15 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.2 p -126.05 1.4 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mm-40 52.83 69.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 9.6 t -154.42 -171.23 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.636 ' HD2' HD12 ' A' ' 77' ' ' LEU . 22.0 p90 -116.81 130.66 56.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.59 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 6.9 mm100 -100.33 108.76 54.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.663 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 54.5 m-85 -106.46 131.88 53.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -178.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.991 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.6 OUTLIER -72.53 -38.04 68.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.56 -40.66 60.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.596 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 70.1 t90 -62.67 -47.04 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.069 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.011 ' O ' HG22 ' A' ' 98' ' ' ILE . 7.8 mt -60.11 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 68' ' ' ILE . 37.2 mtmt -54.48 -19.04 4.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.765 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -91.54 -19.96 22.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -95.19 -55.19 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.011 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -49.0 -42.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.628 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -64.3 -64.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 96' ' ' GLU . 7.5 p -55.65 -24.1 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -63.6 -39.26 93.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.9 -25.97 40.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 23.0 mmm180 -62.99 -53.39 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.3 ptm85 -69.31 -43.44 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.5 mt-30 -46.48 -37.39 7.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.49 -69.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -139.81 -79.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 1.1 tm0? 75.11 -72.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 108' ' ' GLN . . . 78.29 -60.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.83 -89.45 0.14 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -120.87 -56.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.5 143.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 -104.74 0.92 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.27 177.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.52 166.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -45.34 168.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 30.74 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t 63.54 139.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -125.56 -71.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 35' ' ' CYS . 18.3 m -94.12 130.9 40.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.821 HG22 ' CD1' ' A' ' 14' ' ' LEU . 18.7 mt -102.47 125.09 56.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.77 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.7 tm? -120.27 125.01 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.821 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.68 178.38 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.68 131.46 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.658 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 8.8 tp-100 -133.2 96.02 17.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.634 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.0 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 37.4 p -110.94 -150.81 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 -31.22 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -57.76 152.77 35.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.58 18.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.95 -17.09 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.21 62.1 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -117.85 75.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -116.8 141.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.3 m-85 -137.79 168.02 20.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.47 175.73 9.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.67 123.4 14.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.9 177.94 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.94 -38.26 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.79 169.61 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.42 -52.32 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.534 ' O ' HD13 ' A' ' 101' ' ' LEU . 4.0 p-10 -48.42 -34.46 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HB2' HG21 ' A' ' 11' ' ' THR . 7.7 t -53.09 -45.0 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.533 ' HE1' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -62.25 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.84 -55.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.16 -41.82 31.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' MET . 78.4 t -64.31 -70.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -38.45 -52.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' CYS . 10.7 mmtp -36.77 -49.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 23.3 mtm -34.18 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.72 ' HB2' HD13 ' A' ' 64' ' ' LEU . 7.8 t80 -56.98 -50.59 72.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -36.98 -68.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.9 mm-40 -40.05 -67.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -41.02 -32.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.8 mp -81.54 -46.96 13.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -37.41 -62.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -41.87 47.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -69.32 -36.83 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -122.54 103.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' PRO . 11.8 p30 -50.37 -36.36 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.16 98.52 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -75.06 -40.92 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.8 m -122.08 -0.06 9.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.25 168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.54 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -170.32 131.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 19.3 p90 -169.15 -179.32 3.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 80.3 m-20 -85.6 122.42 29.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.625 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -49.99 -29.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -30.47 56.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 33.0 mm-40 -70.99 -25.89 62.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -74.93 -41.44 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.668 ' HD1' HD12 ' A' ' 68' ' ' ILE . 19.6 m-85 -70.73 -13.02 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.31 -20.98 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.78 -35.76 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.668 HD12 ' HD1' ' A' ' 65' ' ' PHE . 23.5 mt -57.39 -20.11 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.53 -28.67 52.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -68.79 -36.09 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.1 mt -46.11 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -89.09 -42.46 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 t0 177.22 106.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 7.4 tp -101.25 135.94 41.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' TYR . 1.1 m -138.94 176.47 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.599 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.8 p -150.91 154.81 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.1 mm? -121.46 118.08 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -105.16 129.09 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.77 126.17 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLN . 8.7 ptm180 -123.88 112.54 17.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.18 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -51.92 64.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.7 p -119.87 -4.89 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.4 mm-40 58.91 66.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -157.29 164.39 37.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.601 ' HD2' HD12 ' A' ' 77' ' ' LEU . 29.4 p90 -106.56 118.35 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -91.6 112.45 54.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 118.93 5.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.1 m-30 -117.06 149.2 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.79 -171.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.993 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -79.2 -17.56 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -48.01 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.625 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 29.5 t90 -60.16 -35.76 76.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.993 HD12 ' HA ' ' A' ' 91' ' ' LYS . 15.6 mt -70.06 -55.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.624 ' HD2' HG21 ' A' ' 68' ' ' ILE . 4.1 mtpp -50.65 -22.47 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.862 ' O ' HG23 ' A' ' 100' ' ' VAL . 3.5 mm-40 -80.63 -44.98 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.625 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -68.9 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.897 HG22 ' O ' ' A' ' 94' ' ' ILE . 11.7 tt -38.57 -48.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.3 t80 -55.78 -49.23 73.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 96' ' ' GLU . 17.6 t -68.05 -27.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -64.71 -31.77 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.01 -33.57 44.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' NH1' ' HA ' ' A' ' 103' ' ' ARG . 4.9 mmm180 -53.36 -56.84 13.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.1 ptm180 -69.05 -50.0 52.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -41.19 -38.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.03 -77.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -147.27 -77.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 77.35 -58.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -148.63 -53.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.51 65.33 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -91.01 169.52 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -106.25 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 131.56 2.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.45 176.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.61 148.27 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -124.59 130.64 52.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt -56.41 159.78 3.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -116.47 126.64 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 -66.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 ' SG ' ' A' ' 35' ' ' CYS . 38.7 m -91.66 157.85 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.813 HG22 ' CD1' ' A' ' 14' ' ' LEU . 11.0 mt -122.79 126.1 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.841 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -121.25 123.49 42.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.841 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -130.92 176.64 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.33 140.99 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.615 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 6.0 tp-100 -146.14 93.55 5.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.78 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.01 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 67.1 p -110.3 -143.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.52 -39.42 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -44.55 152.2 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -13.25 21.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.46 99.53 4.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 131.31 -38.16 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 21' ' ' PRO . 65.1 mtm180 -41.64 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.0 t -121.24 153.08 38.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 2.2 m-85 -135.26 169.91 16.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.46 177.14 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.57 134.15 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -123.74 169.79 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -50.02 10.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.8 p -118.16 177.81 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG13 ' CE ' ' A' ' 36' ' ' MET . 1.5 t -77.32 -49.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.558 ' HA ' HD13 ' A' ' 101' ' ' LEU . 61.0 m-20 -41.15 -48.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.47 -38.73 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 11' ' ' THR . 49.2 t -52.04 -57.02 10.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.303 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.845 ' SD ' HG23 ' A' ' 94' ' ' ILE . 1.5 mpp? -64.47 -48.5 74.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' MET . 3.5 tt0 -37.41 -53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -42.61 -43.69 5.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.657 HG13 ' HE3' ' A' ' 42' ' ' MET . 74.4 t -61.97 -52.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.6 t -45.38 -35.86 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -57.11 -52.23 66.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.657 ' HE3' HG13 ' A' ' 39' ' ' VAL . 28.2 mtm -34.09 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.621 ' HB2' HD13 ' A' ' 64' ' ' LEU . 14.6 t80 -48.27 -53.97 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.26 -42.8 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.59 -65.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -50.05 -22.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.6 mp -83.67 -48.12 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.83 -62.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -42.44 38.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -69.37 -40.73 77.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.96 102.65 52.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.8 -35.46 70.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -40.98 100.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -122.95 0.77 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.58 167.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.547 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -175.53 133.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.65 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.6 p90 -170.99 -174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLN . 4.2 m-20 -83.17 121.41 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -43.85 -35.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -44.76 83.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.52 ' O ' ' CZ ' ' A' ' 43' ' ' TYR . 3.2 tp60 -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.888 HD21 HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -65.63 -42.53 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 17.6 m-30 -68.67 -23.94 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.55 -23.85 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -29.98 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.663 HD13 ' HG3' ' A' ' 95' ' ' LYS . 15.1 mt -60.91 -28.04 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -50.18 40.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.52 -44.22 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 93.5 mt -45.58 157.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -78.67 -34.6 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 169.13 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 tp -99.24 140.4 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.737 ' HA ' HD11 ' A' ' 94' ' ' ILE . 38.2 m -146.82 177.34 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 77' ' ' LEU . 21.8 p -158.46 160.61 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.269 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.5 mm? -120.99 131.0 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 32' ' ' VAL . 38.0 t -120.4 124.01 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.44 136.72 40.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.414 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -137.49 85.27 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.75 -33.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.36 -46.25 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.7 p -114.21 -16.19 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm100 65.64 55.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 86' ' ' TYR . 1.6 t -154.46 -174.43 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.511 ' HD2' HD12 ' A' ' 77' ' ' LEU . 27.5 p90 -120.4 124.32 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -94.74 111.37 54.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.49 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.98 108.09 2.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 19.2 m-85 -99.0 134.95 41.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.09 165.87 24.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.87 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.23 -31.24 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.71 -45.69 91.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 6.9 t90 -66.81 -33.6 75.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.003 ' O ' HG22 ' A' ' 98' ' ' ILE . 19.9 mt -70.1 -55.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.663 ' HG3' HD13 ' A' ' 68' ' ' ILE . 7.4 mtpt -42.52 -28.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.616 ' O ' HG12 ' A' ' 100' ' ' VAL . 2.0 mm-40 -75.29 -62.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.31 -55.93 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.015 ' O ' HD22 ' A' ' 102' ' ' LEU . 4.9 tt -50.7 -44.38 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.41 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.622 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.3 p -58.33 -21.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD13 ' HA ' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -67.09 -44.19 80.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.23 -34.52 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -62.0 -50.37 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.6 ptm180 -71.52 -41.23 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -40.92 -32.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.0 -79.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 108' ' ' GLN . 37.2 mt-30 -149.2 -74.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER 80.83 -74.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.57 -58.21 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.01 91.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -105.47 164.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.65 163.25 39.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 154.26 33.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.94 93.09 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.2 139.67 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -147.17 152.33 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.09 157.5 46.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 28' ' ' ASP . 87.7 p -131.33 118.52 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -93.59 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' CYS . 78.2 m -97.55 139.04 34.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 14' ' ' LEU . 35.6 mt -111.37 125.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.744 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -120.63 124.23 44.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.797 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.22 -177.88 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.6 t -151.17 119.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.452 ' OE1' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -118.31 88.83 34.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.3 Cg_endo -75.04 -37.76 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.402 ' CG2' ' C ' ' A' ' 17' ' ' PRO . 5.9 p -148.0 164.53 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -32.06 68.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -56.41 153.69 19.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.27 21.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -27.57 2.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.51 59.37 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' O ' ' CG ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -117.84 61.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.7 t -117.39 154.94 30.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 2.7 m-85 -140.15 177.95 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.15 176.9 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 9' ' ' SER . 2.0 p30 -144.5 133.04 22.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 96.7 m-85 -134.41 179.82 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.94 -28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 147.46 44.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.36 -51.39 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -44.62 -46.76 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 79.8 mm-40 -54.92 -51.37 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 11' ' ' THR . 11.0 t -45.99 -51.36 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.912 ' SD ' HG23 ' A' ' 94' ' ' ILE . 11.8 mmt -50.6 -48.66 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -38.72 -60.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.65 -42.19 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 94' ' ' ILE . 62.4 t -65.1 -51.45 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -62.43 -40.45 96.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 19.3 mmmt -51.43 -56.53 12.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -35.84 -67.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.737 ' HB2' HD13 ' A' ' 64' ' ' LEU . 18.6 t80 -57.02 -42.19 79.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.4 mt-10 -53.43 -40.98 65.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -55.3 -52.06 64.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -67.03 -11.5 57.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.54 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 2.9 mp -83.74 -43.78 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.2 mmtp -34.53 -70.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -41.45 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 26.0 mmm -68.27 -34.06 75.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 3.1 m120 -142.1 98.98 6.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.98 -67.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.6 p30 -42.54 -28.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 43.3 p -36.82 98.98 0.17 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.99 -44.74 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.4 t -122.78 -2.07 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.49 167.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.33 133.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.434 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 30.9 p90 -178.12 158.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.11 162.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.878 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -90.48 -43.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -15.11 24.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -83.07 -29.21 28.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -87.79 -31.8 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.648 ' CE2' HG23 ' A' ' 61' ' ' ILE . 13.8 m-30 -72.76 -23.5 60.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -20.64 66.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.79 -26.38 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' HD3' ' A' ' 91' ' ' LYS . 38.1 mt -59.81 -53.9 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.32 -35.71 67.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.15 -36.93 43.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 mt -56.84 177.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' HB3' ' OE1' ' A' ' 16' ' ' GLN . . . -84.08 -44.05 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.7 t70 179.95 105.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.96 136.1 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -145.83 179.27 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.579 ' SG ' HD11 ' A' ' 94' ' ' ILE . 2.4 p -153.21 162.21 41.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -123.18 126.82 47.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG21 ' CH2' ' A' ' 93' ' ' TRP . 17.1 t -105.52 127.32 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -91.48 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -98.71 91.21 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 30.4 m-20 -45.21 -46.88 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -126.14 8.37 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 44.02 73.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -154.15 -177.22 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.542 ' HD2' HD12 ' A' ' 77' ' ' LEU . 22.4 p90 -123.22 126.3 46.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.583 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -101.1 111.59 63.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.6 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 82.3 m-85 -106.85 137.77 44.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -64.37 179.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.794 ' HA ' HD12 ' A' ' 94' ' ' ILE . 3.1 ptpp? -72.0 -38.65 69.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -45.02 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 77.4 t90 -55.72 -39.94 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.008 ' O ' HG22 ' A' ' 98' ' ' ILE . 7.8 mt -71.25 -54.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 37.1 mtmt -41.69 -29.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 100' ' ' VAL . 9.3 mm-40 -81.55 -44.38 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -65.56 -57.6 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.008 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.0 tt -44.32 -45.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.475 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 3.1 t80 -59.49 -51.08 71.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 96' ' ' GLU . 19.0 t -65.99 -30.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -57.57 -36.08 71.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.878 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -78.51 -35.83 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -56.73 -49.17 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.9 ptm180 -73.91 -47.05 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.3 mt-30 -46.01 -33.24 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.21 -85.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.34 -70.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.85 -66.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.7 100.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.3 60.48 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.46 142.26 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.52 129.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.0 -125.43 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.89 156.78 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.95 49.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.2 m -139.17 146.64 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -97.08 146.6 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.521 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER 178.37 179.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.6 m170 66.18 -167.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.625 HG22 ' SG ' ' A' ' 35' ' ' CYS . 1.9 m -96.95 155.43 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.824 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.7 mt -121.08 124.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -119.04 122.04 41.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.824 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -124.25 172.1 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG21 ' CE ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -141.88 120.66 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.56 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 9.0 tp-100 -123.04 96.34 44.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.701 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.521 1.8 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 73.2 p -116.9 -139.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -35.89 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -42.59 154.37 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.98 -23.85 13.43 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.43 -34.81 59.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.9 -23.71 51.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -61.98 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -131.26 157.2 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 1.5 m-85 -142.83 162.71 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.08 174.85 9.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.56 118.3 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HD1' ' HG ' ' A' ' 35' ' ' CYS . 87.0 m-85 -119.39 -177.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -84.27 -59.08 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 33' ' ' ASN . 3.3 m -117.04 176.76 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG13 ' CE ' ' A' ' 36' ' ' MET . 1.3 t -66.62 -52.9 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.559 ' CB ' HD13 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -39.89 -49.31 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.27 -44.8 75.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' HG22 ' A' ' 11' ' ' THR . 18.1 m -59.61 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.58 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.9 mmt -51.76 -59.0 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' OE1' ' CE ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -37.14 -61.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -37.53 -51.92 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 57.4 t -48.62 -45.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.982 ' HB2' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -74.22 -42.03 60.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CE ' ' OE1' ' A' ' 37' ' ' GLU . 8.2 mmtt -52.72 -36.16 57.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -57.54 -66.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 24.8 t80 -43.17 -51.87 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' TYR . 4.9 mt-10 -37.41 -50.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -48.8 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -49.16 -23.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -83.1 -48.14 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -38.22 -60.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -40.51 59.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.55 -41.45 72.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.97 100.43 52.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.29 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -58.67 -35.22 72.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -43.11 101.93 0.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -118.91 -0.55 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.81 167.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -176.11 136.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 6.9 p90 -170.13 -171.19 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 142.22 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.546 HD11 HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -56.34 -40.48 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -27.79 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -72.72 -19.51 61.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.858 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -83.95 -44.15 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 95' ' ' LYS . 16.4 m-30 -65.67 -10.36 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.65 -25.79 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -96.4 -10.66 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.444 HD12 ' CD1' ' A' ' 65' ' ' PHE . 2.3 mt -78.08 -43.22 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.76 -18.21 61.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -40.96 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 67' ' ' PHE . 96.4 mt -47.28 157.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -68.66 -33.36 73.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 174.06 110.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tp -105.29 129.07 53.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' HD11 ' A' ' 94' ' ' ILE . 68.8 m -136.83 178.58 6.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.443 ' O ' HD13 ' A' ' 77' ' ' LEU . 2.9 t -156.35 147.61 22.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.3 mm? -117.03 131.16 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 32' ' ' VAL . 73.2 t -118.68 123.43 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 9' ' ' SER . 1.3 t80 -84.44 112.82 20.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.49 ' HB3' ' CZ ' ' A' ' 80' ' ' ARG . 5.6 ptp180 -113.5 115.95 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.71 -20.03 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.35 -47.64 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.3 p -118.88 -7.34 10.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.3 mm-40 59.43 64.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -164.38 161.0 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.543 ' HD2' HD12 ' A' ' 77' ' ' LEU . 41.0 p90 -105.24 113.75 27.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.48 113.4 41.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.99 107.94 2.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.776 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 26.4 m-85 -97.62 160.38 14.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.61 172.14 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -63.02 -26.57 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -73.89 -15.24 61.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.776 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 19.9 t90 -93.75 -21.71 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 98' ' ' ILE . 44.4 mt -83.7 -53.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 10.9 ptpt -53.83 -19.6 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.913 ' O ' HG23 ' A' ' 100' ' ' VAL . 31.8 mm-40 -80.84 -46.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -64.87 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.982 HD11 ' HB2' ' A' ' 40' ' ' CYS . 13.4 tt -39.16 -55.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD2' HG21 ' A' ' 61' ' ' ILE . 1.8 t80 -48.56 -46.59 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 96' ' ' GLU . 16.7 t -70.24 -36.22 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.559 HD13 ' CB ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -54.43 -29.1 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.79 -31.97 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 6.2 mmm180 -57.54 -55.15 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -69.55 -48.34 60.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -43.1 -32.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.7 -82.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -148.16 -68.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.62 -59.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.45 59.97 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.18 60.93 0.41 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -77.85 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -48.12 131.31 16.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.83 -158.27 8.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.18 142.98 47.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.62 157.63 17.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 m 55.78 165.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.48 172.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 66.1 m 59.2 162.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 9' ' ' SER . 10.9 m170 -168.59 179.5 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.636 ' OG1' HG22 ' A' ' 32' ' ' VAL . 6.6 m -97.94 147.82 24.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.866 HG22 ' CD1' ' A' ' 14' ' ' LEU . 22.9 mt -112.07 128.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.729 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -119.45 123.81 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.979 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -131.29 -177.75 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.8 HG22 HD11 ' A' ' 74' ' ' LEU . 1.4 t -152.72 140.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.742 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 7.1 tp-100 -141.03 95.38 7.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.01 -47.96 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.44 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 37.5 p -113.88 -149.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -33.83 6.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -64.05 153.7 84.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.99 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 98.13 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.81 33.45 1.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 4.5 ppt_? -135.96 152.37 50.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -169.94 161.51 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.979 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.6 m-85 -119.49 173.0 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.24 174.45 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.66 120.73 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -115.27 173.17 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 10' ' ' HIS . 19.0 mt-10 -77.14 -35.58 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.4 156.55 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG22 ' OG1' ' A' ' 11' ' ' THR . 6.3 t -67.05 -46.59 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.484 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -50.08 -43.34 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.8 mm-40 -53.25 -43.15 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.3 m -55.29 -56.13 23.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.429 ' HG2' ' N ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -45.27 -50.88 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.98 -49.51 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.33 -27.27 46.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG13 ' CE ' ' A' ' 42' ' ' MET . 48.1 t -76.69 -70.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' HD22 ' A' ' 64' ' ' LEU . 43.2 t -40.52 -49.96 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.2 mmtp -39.04 -50.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.573 ' CE ' HG13 ' A' ' 39' ' ' VAL . 49.3 mtm -34.4 -71.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.656 ' HB2' HD13 ' A' ' 64' ' ' LEU . 8.8 t80 -50.52 -53.63 28.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.29 -43.36 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -48.14 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 8.1 t60 -67.62 -19.98 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.609 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.72 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.0 mp -86.12 -51.43 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG2' HD11 ' A' ' 57' ' ' ILE . 21.9 mttt -40.04 -57.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -48.86 -39.37 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 mmm -79.38 -36.77 38.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.5 m120 -123.69 97.14 42.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.2 p30 -41.56 -29.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 27.0 p -37.53 102.66 0.24 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -121.07 -3.75 9.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 62.13 166.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.505 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.6 133.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.72 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 3.1 p90 -160.46 -52.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 1.7 m-20 156.69 162.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -91.02 -39.77 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -49.27 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.24 -39.24 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -64.64 -49.63 70.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.6 m-30 -54.47 -22.75 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -57.34 -28.16 62.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.21 -30.33 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 71' ' ' LEU . 14.8 mt -58.36 -35.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -48.02 68.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -42.99 -41.24 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 74' ' ' LEU . 12.3 mt -53.34 171.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.742 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -79.8 -46.16 17.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.2 t70 178.19 120.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 tp -98.04 142.38 29.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -145.29 177.12 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.594 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.5 p -158.25 163.97 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.3 mm? -123.13 116.49 23.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.1 t -106.08 127.21 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.598 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 14.3 t80 -80.51 144.42 32.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CZ ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -142.78 81.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.598 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -44.45 -29.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -42.41 -43.2 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.5 ' OG1' ' CZ ' ' A' ' 80' ' ' ARG . 80.8 p -125.22 0.57 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 52.08 74.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -165.32 175.37 9.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 26.2 p90 -118.6 116.43 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.515 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -92.14 113.68 59.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 16.0 m-30 -100.34 178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.15 -169.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.9 OUTLIER -82.81 -33.72 27.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.13 -34.43 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.603 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 56.8 t90 -70.89 -31.36 67.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.058 ' O ' HG22 ' A' ' 98' ' ' ILE . 10.8 mt -77.87 -53.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HG2' HD13 ' A' ' 68' ' ' ILE . 38.1 mtmt -40.28 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.65 ' O ' HG12 ' A' ' 100' ' ' VAL . 5.7 mm-40 -78.77 -63.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.603 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -45.19 -50.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.058 HG22 ' O ' ' A' ' 94' ' ' ILE . 6.2 tt -57.3 -41.37 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.618 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -67.37 -57.42 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 96' ' ' GLU . 5.5 p -62.58 -25.11 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.9 OUTLIER -56.95 -35.13 68.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -85.56 -33.65 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 4.3 mmm180 -55.9 -43.28 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 4.5 ptm180 -76.54 -48.07 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 3.2 mt-30 -44.8 -34.43 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.36 -70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.79 -75.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.557 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.8 OUTLIER 72.44 -69.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 108' ' ' GLN . . . 74.59 -58.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.08 91.44 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -177.34 148.95 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.0 137.18 54.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.33 -162.05 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.14 109.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.69 95.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -146.16 147.33 31.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -144.8 175.29 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -131.9 125.45 31.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -124.39 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.446 HG22 ' SG ' ' A' ' 35' ' ' CYS . 96.4 m -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.391 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.867 HG22 ' CD1' ' A' ' 14' ' ' LEU . 28.7 mt -130.44 128.81 64.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.5 tm? -119.32 127.94 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.867 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -131.42 -179.61 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.804 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.4 t -156.35 131.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.649 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 6.9 tp-100 -134.69 95.17 16.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.747 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 70.7 p -113.64 -141.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -38.79 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -46.82 146.76 2.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.48 37.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.96 33.83 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -136.9 116.2 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -142.05 144.86 33.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.827 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.6 m-85 -112.74 152.87 28.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -132.27 175.81 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -142.15 145.04 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 69.1 m-85 -134.75 -178.4 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.78 -30.13 12.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 161.03 34.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' CE ' ' A' ' 36' ' ' MET . 2.2 t -66.47 -46.1 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 6.2 m120 -49.72 -49.21 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.69 -36.94 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.548 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 4.9 t -58.86 -54.03 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.254 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' MET . . . . . 1.015 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.6 tpp -66.01 -41.29 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.3 tt0 -37.27 -58.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 41' ' ' LYS . . . -37.47 -57.49 1.47 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.0 t -41.58 -61.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 t -44.12 -48.01 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.2 mttt -48.72 -57.86 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.804 ' SD ' HG21 ' A' ' 15' ' ' VAL . 35.4 mtm -34.76 -66.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CB ' HD13 ' A' ' 64' ' ' LEU . 68.8 t80 -54.96 -55.5 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.0 mt-10 -40.98 -46.27 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' LEU . 4.6 mm-40 -47.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -46.49 -25.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.669 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.8 mp -83.71 -47.18 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -38.82 -60.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.57 57.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -71.03 -40.67 71.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.417 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 3.1 m-80 -117.6 103.7 50.5 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -53.51 -35.57 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.5 OUTLIER -40.45 100.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.66 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -125.43 1.11 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.59 167.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -173.92 132.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -170.59 -169.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 69.6 m-20 -79.63 112.44 16.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 99' ' ' TYR . 1.1 tt -45.64 -32.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -46.71 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 0.1 OUTLIER -53.22 -32.27 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -62.94 -39.06 93.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.609 ' HA ' HD12 ' A' ' 68' ' ' ILE . 16.3 m-30 -67.3 -27.57 67.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.45 -22.24 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.93 -29.01 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 65' ' ' PHE . 5.9 mt -64.47 -42.88 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.21 86.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.32 -44.31 68.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 96.5 mt -46.8 159.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -71.34 -28.44 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 t0 164.97 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 75' ' ' SER . 11.0 tp -100.49 143.7 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.433 ' H ' HD12 ' A' ' 74' ' ' LEU . 1.4 m -144.45 179.3 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 3.3 p -157.71 160.97 38.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.562 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.4 mm? -125.41 115.9 21.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 70.5 t -98.14 124.23 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -90.27 115.39 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLN . 11.3 ptm180 -112.96 120.6 41.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.07 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.94 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -40.88 -51.33 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -122.91 -1.68 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.6 mm-40 55.82 68.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.5 t -155.89 160.93 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' HD2' HD12 ' A' ' 77' ' ' LEU . 34.3 p90 -106.39 119.67 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.614 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 3.2 mm100 -97.54 115.97 65.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.0 m-30 -98.79 -179.62 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -107.53 163.93 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.878 ' HA ' HD12 ' A' ' 94' ' ' ILE . 1.1 pttt -52.82 -35.95 57.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.44 -39.04 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CE3' ' SG ' ' A' ' 76' ' ' CYS . 31.9 t90 -70.9 -26.66 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 1.074 ' O ' HG22 ' A' ' 98' ' ' ILE . 29.5 mt -79.93 -56.14 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.5 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 36.6 mtmt -40.16 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 100' ' ' VAL . 6.1 mm-40 -76.05 -65.13 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -46.75 -55.03 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 1.074 HG22 ' O ' ' A' ' 94' ' ' ILE . 6.9 tt -50.41 -44.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.627 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.88 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.627 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -58.1 -24.07 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.0 OUTLIER -62.29 -37.72 86.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -81.6 -32.29 32.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -56.2 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -61.76 -45.71 92.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -37.02 -38.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.92 -77.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -143.67 -94.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 51.01 -169.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 55.99 84.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.98 59.33 1.79 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.9 pttp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 m -146.34 113.92 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -137.36 125.8 23.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.97 -134.86 6.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.54 98.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -142.14 106.53 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m -121.36 152.23 39.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtm -102.07 157.14 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 p -115.99 113.32 23.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -122.16 -66.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.0 m -91.37 141.57 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.748 HG22 ' CD1' ' A' ' 14' ' ' LEU . 44.6 mt -111.27 126.88 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -120.31 126.28 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.764 ' H ' HD22 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -126.54 -178.38 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.7 130.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.676 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 8.4 tp-100 -134.12 95.29 16.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.601 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.96 -49.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.447 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 61.9 p -112.84 -151.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.34 -40.37 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -57.45 153.88 26.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' CA ' ' HD3' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -7.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 89.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.42 34.99 1.04 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HD3' ' CA ' ' A' ' 21' ' ' PRO . 23.2 ptt85 -112.19 134.44 53.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -163.54 158.66 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -134.58 163.98 28.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -134.64 170.6 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -133.23 134.81 44.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 79.7 m-85 -130.22 178.0 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.92 -44.02 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.68 159.65 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.71 -50.58 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.641 ' HB3' HD13 ' A' ' 101' ' ' LEU . 46.0 m-20 -51.05 -50.76 58.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -48.66 -36.44 16.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 1.6 t -72.13 -38.11 69.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.897 ' SD ' HG23 ' A' ' 94' ' ' ILE . 16.3 mmt -61.15 -49.71 76.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.1 mt-10 -37.69 -65.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -36.24 -57.54 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 94' ' ' ILE . 98.1 t -42.49 -46.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 98' ' ' ILE . 8.5 t -70.61 -38.53 73.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' GLY . 19.0 mttm -53.37 -51.15 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -36.56 -63.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.623 ' HB2' HD13 ' A' ' 64' ' ' LEU . 39.7 t80 -61.52 -45.95 92.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 3.4 mt-10 -42.66 -41.0 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.91 -62.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.9 mp -84.81 -49.17 8.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.71 -62.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -40.6 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -72.29 -40.87 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 54' ' ' SER . 1.2 m-80 -122.22 101.68 40.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -60.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 9.2 m120 -46.72 -31.46 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.1 p -40.63 101.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.0 m -123.68 -1.47 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 66.44 167.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.34 128.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.9 p90 -172.57 177.99 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 164.61 14.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.884 HD11 HD12 ' A' ' 102' ' ' LEU . 1.5 mt -91.5 -46.37 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -53.13 -31.58 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -40.28 96.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -76.92 -46.38 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.701 ' CE2' ' CG2' ' A' ' 61' ' ' ILE . 14.2 m-30 -59.01 -24.52 62.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -24.36 67.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.93 -18.68 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.469 HD13 ' HG2' ' A' ' 95' ' ' LYS . 21.5 mt -67.76 -49.04 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.4 -30.71 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.6 -39.86 85.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.0 mt -49.0 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.676 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -86.06 -31.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 t70 168.64 107.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 tp -102.03 137.67 40.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -148.32 179.57 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' A' ' 94' ' ' ILE . 6.7 p -154.27 160.94 42.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 76' ' ' CYS . 2.6 mm? -122.65 125.54 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.476 HG21 ' CH2' ' A' ' 93' ' ' TRP . 20.7 t -103.77 132.02 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.62 113.25 25.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -109.71 112.57 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.67 -18.46 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -49.71 -52.77 28.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.8 p -128.0 15.16 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 39.46 61.42 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.4 t -135.85 -160.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' HD2' HD12 ' A' ' 77' ' ' LEU . 15.8 p90 -134.36 133.9 41.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -105.36 111.84 64.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.39 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 73.4 m-85 -107.97 147.16 31.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.55 168.09 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.775 ' HA ' HD12 ' A' ' 94' ' ' ILE . 7.0 ptmt -60.76 -34.87 75.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -49.26 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.599 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 75.2 t90 -52.05 -42.32 63.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.906 ' O ' HG22 ' A' ' 98' ' ' ILE . 6.8 mt -68.15 -54.44 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.473 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 32.5 mtmt -37.87 -32.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 94' ' ' ILE . 39.8 mm-40 -78.33 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.599 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -50.18 -51.41 44.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.906 HG22 ' O ' ' A' ' 94' ' ' ILE . 14.1 tt -55.27 -48.94 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.458 ' C ' ' CD1' ' A' ' 99' ' ' TYR . 3.8 t80 -60.21 -50.45 73.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.98 -11.67 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -82.92 -23.94 33.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.884 HD12 HD11 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -88.4 -51.12 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 11.4 mmm180 -35.57 -42.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 7.7 ptm180 -78.27 -44.35 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.9 mm-40 -42.21 -37.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -142.01 -75.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 74.6 -72.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 48.87 65.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 41.77 47.27 5.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -169.5 150.69 4.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -174.42 165.11 3.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.37 -86.93 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.51 173.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.44 168.06 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -73.49 144.34 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mmt -131.56 -179.05 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -55.16 -44.55 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . 6.7 m80 54.68 104.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -123.59 163.03 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.825 HG22 ' CD1' ' A' ' 14' ' ' LEU . 65.5 mt -123.15 119.24 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -119.24 123.64 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.923 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.46 -170.84 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.4 t -157.12 123.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.859 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 24.6 tp60 -124.74 95.8 41.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.98 -47.75 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -119.79 -140.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -37.88 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -51.68 153.86 3.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.97 -8.05 19.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.83 84.03 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.66 -42.89 1.08 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 21' ' ' PRO . 10.7 mtt180 -41.94 109.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 t -143.06 143.82 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.923 ' CD2' HD12 ' A' ' 14' ' ' LEU . 8.7 m-85 -119.05 168.49 10.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.5 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.81 121.58 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 28.7 m-85 -121.02 -178.45 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.2 -21.38 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.06 179.24 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.52 -47.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 10.2 p30 -52.61 -38.98 61.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.36 -41.57 97.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 3.6 m -61.12 -44.77 96.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.935 ' SD ' HG23 ' A' ' 94' ' ' ILE . 15.5 mmt -50.64 -50.36 54.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -37.3 -59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.81 -39.85 1.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' MET . 50.0 t -65.97 -47.55 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' HB2' HD11 ' A' ' 98' ' ' ILE . 6.9 t -66.26 -34.76 78.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . 24.3 mmtt -57.34 -52.1 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -37.57 -66.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.783 ' HB2' HD13 ' A' ' 64' ' ' LEU . 11.9 t80 -53.03 -49.94 65.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -45.58 -48.44 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.36 -66.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -52.58 -20.49 3.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.1 mp -81.48 -49.86 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.21 -61.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -41.36 49.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.83 -42.08 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 2.3 m-80 -114.99 97.66 48.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -63.52 -32.61 74.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -42.0 103.49 0.31 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m -120.97 0.9 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.22 168.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.52 133.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.7 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 31.1 p90 -174.91 157.22 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.64 154.75 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 102' ' ' LEU . 1.8 mt -72.49 -46.92 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.1 p -52.82 -26.77 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -42.69 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -71.25 -36.72 71.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 61' ' ' ILE . 14.6 m-30 -73.78 -23.74 59.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.29 -21.56 66.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -19.7 19.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.488 HD12 ' CD1' ' A' ' 65' ' ' PHE . 22.9 mt -66.18 -32.65 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.79 -18.8 58.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.37 161.59 30.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.859 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -70.46 -40.36 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t70 177.57 104.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.94 127.39 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 m -139.43 178.76 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.508 ' SG ' ' CZ3' ' A' ' 93' ' ' TRP . 22.9 p -155.56 145.78 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -114.63 134.48 55.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.75 138.77 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.4 129.67 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 7.9 ptm180 -124.09 104.55 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.95 -19.8 33.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -47.66 -56.19 7.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -120.74 0.04 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER 57.33 79.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.1 t -168.26 168.86 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.602 ' HD2' HD12 ' A' ' 77' ' ' LEU . 36.6 p90 -105.09 113.57 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 4.3 tm0? -84.67 113.22 47.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.499 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 49.6 m-85 -119.09 119.9 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.883 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.85 -40.28 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -50.52 -32.98 19.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.564 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 80.5 t90 -70.11 -43.87 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.935 HG23 ' SD ' ' A' ' 36' ' ' MET . 15.5 mt -61.89 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 34.3 mtmt -37.06 -38.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.816 ' O ' HG23 ' A' ' 100' ' ' VAL . 36.8 mm-40 -69.41 -53.11 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.564 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -58.34 -62.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 94' ' ' ILE . 15.0 tt -42.83 -50.96 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 103' ' ' ARG . 2.7 t80 -56.69 -49.22 75.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 96' ' ' GLU . 48.0 t -67.65 -12.76 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 36' ' ' MET . 0.1 OUTLIER -83.92 -23.77 31.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -88.14 -51.13 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 15.3 mmm180 -34.08 -46.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 ptm180 -74.22 -46.62 40.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.6 mt-30 -39.85 -51.23 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.82 -92.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.32 -101.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.34 -71.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.02 105.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -97.0 64.5 0.99 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.13 101.33 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.07 119.15 38.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.37 153.35 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.27 74.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.69 100.31 5.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.2 p -110.35 118.68 36.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.402 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtm -47.21 158.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.8 t -140.14 -69.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.407 ' ND1' ' CD2' ' A' ' 79' ' ' TYR . 2.6 m-70 -150.25 -73.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.56 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.6 m -93.38 150.16 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.444 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.876 HG22 HD11 ' A' ' 14' ' ' LEU . 14.5 mt -121.62 126.02 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.91 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.9 tm? -121.44 127.44 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -128.31 -172.31 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -158.74 122.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 9.0 tp-100 -125.21 96.33 39.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.747 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.03 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 66.1 p -108.99 -147.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -29.34 8.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -64.34 148.79 95.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 18.2 Cg_endo -75.05 -9.12 20.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.09 95.89 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.25 -8.75 5.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 21' ' ' PRO . 18.0 ptt180 -79.59 133.93 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 14.7 t -147.47 153.71 39.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' HD1' HD12 ' A' ' 14' ' ' LEU . 11.0 m-85 -126.5 148.03 49.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.61 176.57 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.97 117.41 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -119.5 -179.75 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.11 -32.97 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 164.98 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.72 -45.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.3 p-10 -49.13 -37.63 22.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.406 ' SG ' HD23 ' A' ' 13' ' ' LEU . 5.7 t -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.926 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -39.47 -57.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.61 -57.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.71 -34.78 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 94' ' ' ILE . 73.8 t -80.53 -66.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 2.6 t -41.62 -47.25 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' MET . 16.7 mmmt -43.9 -52.89 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.628 ' SD ' HG21 ' A' ' 15' ' ' VAL . 32.0 mtm -34.28 -69.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.803 ' HB2' HD13 ' A' ' 64' ' ' LEU . 17.3 t80 -53.72 -47.46 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.17 -43.82 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.26 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.1 t-80 -49.83 -22.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.587 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.2 mp -83.69 -47.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.59 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -41.46 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.67 -32.48 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -132.16 101.07 15.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -60.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.0 m120 -46.94 -31.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.7 p -41.2 101.59 0.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -124.18 -0.89 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.61 167.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -170.42 135.03 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 9.0 p90 -172.2 -174.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 61.8 m-20 -79.8 133.87 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -67.46 -23.32 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.37 -32.8 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 14.0 tp60 -73.06 -23.54 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.961 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.06 -42.0 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' A' ' 68' ' ' ILE . 13.0 m-30 -66.1 -18.66 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.85 -19.23 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -34.29 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 65' ' ' PHE . 33.8 mt -52.5 -39.86 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.43 -42.95 82.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -43.57 -37.09 2.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -54.83 161.47 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -76.93 -30.6 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.16 104.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 3.7 tp -98.42 142.15 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -147.39 178.93 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.695 ' O ' HD13 ' A' ' 77' ' ' LEU . 4.7 p -156.13 166.91 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.695 HD13 ' O ' ' A' ' 76' ' ' CYS . 1.8 mm? -128.16 134.95 49.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.0 t -113.4 123.89 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.512 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 5.6 t80 -88.94 118.34 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -116.92 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -46.09 -27.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 -39.44 58.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.7 p -124.84 5.73 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER 40.01 76.19 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -167.43 164.73 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.624 ' HD2' HD12 ' A' ' 77' ' ' LEU . 18.0 p90 -109.99 132.77 53.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.594 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.9 mm100 -106.58 112.82 63.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.629 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.02 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 79.4 m-85 -107.51 126.1 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -61.32 176.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.876 ' HA ' HD12 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -67.39 -39.92 85.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -49.44 -28.01 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.59 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 60.8 t90 -75.96 -57.24 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 107.982 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.995 ' O ' HG22 ' A' ' 98' ' ' ILE . 5.4 mt -49.97 -39.89 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.4 mtmt -56.03 -38.59 70.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -74.3 -12.46 60.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -99.11 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.995 ' O ' HD22 ' A' ' 102' ' ' LEU . 3.6 tt -39.4 -47.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.616 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -54.18 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.616 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 3.3 p -62.38 -34.8 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 36' ' ' MET . 1.0 OUTLIER -51.57 -44.58 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.995 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -73.76 -41.38 62.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -55.6 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.4 ptt180 -65.91 -38.96 90.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -48.4 -35.99 13.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.84 -93.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -121.8 -100.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.07 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.69 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 119.04 67.06 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -97.82 118.71 34.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 75.06 -60.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.61 -166.36 38.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.0 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 47.62 90.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 p -86.8 140.74 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -69.25 165.92 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 t 58.31 167.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -169.86 88.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.553 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.428 HG21 ' HB2' ' A' ' 35' ' ' CYS . 7.0 m -90.94 138.79 31.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 14' ' ' LEU . 13.5 mt -108.25 123.18 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -119.14 123.23 43.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.975 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -124.36 175.64 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 74' ' ' LEU . 1.2 t -147.86 128.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.806 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 8.8 tp-100 -127.04 97.67 31.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 72.3 p -121.44 -141.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -37.71 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -57.85 149.95 51.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.02 -13.89 21.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 pt-20 -72.84 86.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 -19.31 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -74.21 125.12 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -147.9 141.5 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.975 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.2 m-85 -108.25 164.27 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -135.81 177.24 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.25 137.4 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 99.7 m-85 -146.4 174.55 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -114.72 -37.34 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.41 135.04 42.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.602 HG12 ' SD ' ' A' ' 36' ' ' MET . 41.3 t -52.4 -40.27 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.57 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 66.6 mm-40 -38.37 -46.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 11' ' ' THR . 39.8 t -57.2 -54.86 42.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.859 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -50.52 -60.56 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -38.58 -60.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.41 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.454 HG21 HG21 ' A' ' 94' ' ' ILE . 41.9 t -68.78 -58.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.7 t -47.77 -44.96 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -46.88 -53.53 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.656 ' SD ' HG21 ' A' ' 15' ' ' VAL . 17.4 mtm -34.71 -72.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.778 ' HB2' HD13 ' A' ' 64' ' ' LEU . 29.9 t80 -50.6 -46.15 57.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.1 -46.82 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.76 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -49.39 -23.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.695 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.4 mp -82.48 -48.38 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.33 -61.81 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -41.76 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.43 -42.06 75.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -117.02 103.07 52.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.6 m120 -54.11 -36.31 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.78 99.67 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -123.59 0.47 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.43 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.539 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.09 130.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.695 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.5 p90 -171.26 177.84 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.68 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 1.009 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -61.86 -40.43 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -21.56 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -88.35 -44.56 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.778 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -49.6 -49.06 48.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -64.54 -28.0 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -25.11 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -90.17 -28.92 18.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 71' ' ' LEU . 18.2 mt -60.87 -36.26 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -69.45 -40.09 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.11 -39.32 63.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.741 HD13 HD13 ' A' ' 74' ' ' LEU . 31.4 mt -53.29 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -77.06 -39.55 49.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.6 t70 173.27 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.741 HD13 HD13 ' A' ' 71' ' ' LEU . 4.8 tp -104.74 132.18 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.574 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -142.12 170.73 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.645 ' C ' HD22 ' A' ' 77' ' ' LEU . 7.5 p -158.36 162.88 37.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 76' ' ' CYS . 2.5 mm? -130.64 139.01 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.85 130.9 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -95.84 118.16 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLN . 1.4 ptp180 -117.98 116.42 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -11.11 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -48.46 80.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.9 p -118.61 -3.67 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.9 mm-40 53.75 61.35 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -153.9 165.32 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.607 ' HD2' HD12 ' A' ' 77' ' ' LEU . 33.6 p90 -104.57 113.48 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.622 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.58 113.54 49.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.623 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 75.2 m-85 -130.08 132.22 46.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.69 175.34 2.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.3 OUTLIER -61.46 -40.81 95.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -47.89 50.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.609 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 57.9 t90 -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.043 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.638 ' O ' HG22 ' A' ' 98' ' ' ILE . 4.1 mt -66.94 -53.95 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 94' ' ' ILE . 26.4 mtmt -39.23 -33.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 100' ' ' VAL . 5.2 mm-40 -79.87 -55.66 4.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -50.97 -58.97 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.648 ' O ' HD22 ' A' ' 102' ' ' LEU . 19.4 tt -39.17 -58.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.529 ' N ' HG23 ' A' ' 98' ' ' ILE . 6.5 t80 -53.32 -51.45 62.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 96' ' ' GLU . 67.2 t -61.45 -24.28 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 36' ' ' MET . 0.0 OUTLIER -74.34 -31.95 62.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -78.78 -33.33 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 17.1 mmm180 -53.96 -52.82 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.4 ptm180 -69.61 -48.07 61.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.428 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.3 mt-30 -46.56 -40.72 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.87 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -142.68 -77.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 76.38 -67.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.38 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.09 54.1 39.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 74.93 -59.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 48.15 74.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.82 105.71 0.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.64 103.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -139.58 125.89 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.4 p -80.06 145.04 32.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.96 145.14 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.567 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER 169.06 -178.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.1 m170 63.12 173.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -91.66 131.17 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.835 HG22 ' CD1' ' A' ' 14' ' ' LEU . 26.4 mt -97.9 124.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.705 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -121.16 124.1 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.835 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -132.06 -173.7 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.7 t -156.3 142.47 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 6.1 tp-100 -143.94 95.02 5.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.806 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.94 -49.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 73.2 p -109.71 -142.33 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -131.48 33.49 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -111.28 148.43 38.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.98 21.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -86.12 -8.57 57.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.13 63.34 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.32 101.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -123.57 148.81 46.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.812 ' CD2' HD12 ' A' ' 14' ' ' LEU . 3.8 m-85 -109.84 164.98 12.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.06 177.29 9.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.2 135.49 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -125.84 173.47 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -82.47 -56.72 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.14 160.81 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.31 -48.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 36.7 m-20 -48.04 -44.31 31.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -60.47 -42.78 96.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.88 -35.8 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' HG23 ' A' ' 94' ' ' ILE . 15.9 mmt -67.63 -48.6 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -38.2 -69.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.49 -58.43 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.7 t -45.29 -49.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLU . 44.3 t -61.38 -42.37 98.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' MET . 12.5 mttt -50.42 -51.25 48.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' HG21 ' A' ' 15' ' ' VAL . 22.2 mtm -35.11 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.648 ' CB ' HD13 ' A' ' 64' ' ' LEU . 41.1 t80 -52.9 -45.0 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.21 -44.83 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.58 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -53.21 -20.44 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -38.68 -61.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -39.68 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -73.34 -41.91 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -113.69 107.46 52.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -75.01 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -38.65 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -36.62 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -75.02 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -124.89 0.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 68.11 168.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -172.34 133.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.3 p90 -169.74 -173.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 83.0 m-20 -82.5 119.87 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -45.16 -37.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -42.28 83.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 8.9 mm-40 -57.76 -36.91 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -59.08 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.542 ' HA ' HD12 ' A' ' 68' ' ' ILE . 17.9 m-30 -66.64 -20.02 65.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.4 -20.68 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -95.49 -37.4 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 65' ' ' PHE . 11.7 mt -50.52 -54.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.51 -34.76 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' PHE . 18.2 t0 -56.47 -42.28 77.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.5 mt -47.08 161.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -77.52 -35.22 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 170.04 107.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 75' ' ' SER . 9.0 tp -97.88 147.92 23.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.442 ' H ' HD12 ' A' ' 74' ' ' LEU . 2.6 m -145.76 179.02 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.596 ' O ' HD13 ' A' ' 77' ' ' LEU . 2.1 p -157.95 158.26 34.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -125.19 124.33 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CH2' ' A' ' 93' ' ' TRP . 51.6 t -111.06 132.02 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 9' ' ' SER . 13.5 t80 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -108.7 110.93 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.93 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -43.36 -55.27 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.464 ' OG1' HG22 ' A' ' 85' ' ' THR . 66.2 p -127.47 16.31 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 40.23 65.45 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.464 HG22 ' OG1' ' A' ' 83' ' ' THR . 3.7 t -143.95 167.55 22.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.633 ' HD2' HD12 ' A' ' 77' ' ' LEU . 29.0 p90 -105.24 118.9 37.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.4 mm100 -93.03 112.25 55.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.471 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 69.8 m-85 -110.94 133.3 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.758 ' HA ' HD12 ' A' ' 94' ' ' ILE . 6.3 ptmt -88.18 -31.46 19.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 1.3 t0 -60.78 -26.61 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.606 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 82.4 t90 -75.52 -32.84 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 91' ' ' LYS . 30.0 mt -72.05 -56.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.8 mtmt -38.42 -36.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.612 ' O ' HG12 ' A' ' 100' ' ' VAL . 8.5 mm-40 -66.03 -62.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -48.3 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.991 ' O ' HD22 ' A' ' 102' ' ' LEU . 10.6 tt -39.1 -47.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.619 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -62.87 -67.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.619 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -54.54 -19.91 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -69.75 -40.24 76.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -77.14 -30.51 55.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -66.1 -47.46 74.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -35.95 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.26 -26.67 61.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.27 -65.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 109' ' ' ALA . 34.8 mt-30 -151.76 -84.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 109' ' ' ALA . 32.3 tp60 65.66 -66.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -144.32 93.09 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -100.67 54.46 0.85 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -87.57 102.52 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -166.83 160.57 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 -78.02 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.88 139.11 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.9 172.49 13.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -84.03 150.67 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -105.28 137.91 42.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -178.6 -47.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 0.6 OUTLIER 62.41 93.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.569 ' OG1' HG22 ' A' ' 32' ' ' VAL . 1.8 m -110.98 144.11 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.817 HG22 ' CD1' ' A' ' 14' ' ' LEU . 25.9 mt -98.1 122.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.848 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.1 tm? -119.69 125.61 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . 0.982 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.17 -169.98 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.7 t -158.47 124.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.8 87.28 56.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HB3' HD23 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.97 -37.42 2.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 16.2 p -146.6 161.44 40.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -31.96 71.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 151.57 68.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -8.58 20.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.94 85.23 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.57 39.36 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -122.0 130.94 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t -173.21 153.75 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.982 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.0 m-85 -116.13 175.6 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.53 171.75 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -152.02 133.25 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.6 -20.25 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -179.85 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG22 ' OG1' ' A' ' 11' ' ' THR . 2.6 t -91.86 -46.43 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.6 p-10 -51.68 -35.36 42.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.4 -37.72 87.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.27 -45.15 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' MET . . . . . 0.796 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.8 mmt -55.35 -53.12 60.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.7 tt0 -38.39 -52.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' HA2' ' CD ' ' A' ' 41' ' ' LYS . . . -50.22 -42.07 40.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG22 HD21 ' A' ' 74' ' ' LEU . 75.5 t -59.45 -27.14 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -90.48 -20.31 22.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' CD ' ' HA2' ' A' ' 38' ' ' GLY . 14.4 mttm -64.71 -69.87 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 39' ' ' VAL . 5.7 ptp -35.79 -33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.619 ' CG ' HD13 ' A' ' 64' ' ' LEU . 58.4 t80 -77.93 -61.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.17 -33.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.85 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -46.5 -25.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.3 mp -84.28 -48.13 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.85 -61.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -42.57 31.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -72.28 -31.89 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.9 m-80 -131.53 102.71 15.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -61.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' SER . 15.0 m120 -45.82 -34.04 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 25.9 p -38.38 99.13 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -74.96 -44.46 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' ' HA3' ' A' ' 110' ' ' GLY . 43.3 t -123.97 -1.47 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.38 167.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -171.94 136.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 5.3 p90 -167.57 -170.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -90.13 132.11 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.71 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -56.47 -34.6 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -68.34 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -81.63 -58.13 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.852 HD21 HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -45.56 -47.8 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' CD1' HD12 ' A' ' 68' ' ' ILE . 14.9 m-30 -65.82 -30.62 71.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' GLN . 1.4 t0 -51.86 -23.85 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -94.32 -38.89 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 4.5 mt -45.1 -41.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.69 -41.62 82.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' PHE . 22.0 t70 -47.38 -45.6 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 17' ' ' PRO . 52.6 mt -47.61 171.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 16' ' ' GLN . . . -84.01 -25.12 30.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER 155.99 119.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.541 HD21 HG22 ' A' ' 39' ' ' VAL . 9.5 tp -97.93 129.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . 0.477 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 1.6 m -131.02 162.98 28.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 10.5 t -151.87 151.7 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.2 mm? -118.27 138.97 52.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 7.2 t -116.34 158.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' TYR . . . . . 0.926 ' CZ ' ' HB2' ' A' ' 81' ' ' ALA . 4.3 t80 -78.62 140.05 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.728 ' H ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -146.64 55.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ALA . . . . . 0.926 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . . . -38.04 -31.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 80' ' ' ARG . 11.3 m-20 -40.23 -42.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.803 HG23 HG22 ' A' ' 85' ' ' THR . 0.1 OUTLIER -118.62 -22.17 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.27 53.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 83' ' ' THR . 1.7 t -131.06 -119.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' TYR . . . . . 0.576 ' H ' HG23 ' A' ' 85' ' ' THR . 4.2 p90 -161.09 128.16 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -104.4 104.46 44.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.564 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 148.89 36.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 96.5 m-85 -147.36 121.26 9.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.25 -177.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 94' ' ' ILE . 3.2 ptpp? -72.02 -37.63 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -48.03 -48.6 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 97' ' ' LYS . 77.4 t90 -56.76 -42.71 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ILE . . . . . 0.965 ' O ' HG22 ' A' ' 98' ' ' ILE . 10.2 mt -65.67 -56.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 42.1 mtmt -43.14 -39.39 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLU . . . . . 0.921 ' O ' HG23 ' A' ' 100' ' ' VAL . 19.0 mm-40 -66.84 -46.6 74.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -64.41 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ILE . . . . . 0.965 HG22 ' O ' ' A' ' 94' ' ' ILE . 2.6 tt -39.51 -44.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' TYR . . . . . 0.71 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.2 t80 -60.75 -47.41 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 96' ' ' GLU . 39.7 t -69.92 -28.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -57.64 -34.01 68.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.882 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.65 -29.29 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 22.2 mmm180 -60.3 -50.83 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.05 -44.13 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLN . . . . . 0.756 ' OE1' ' HB2' ' A' ' 109' ' ' ALA . 15.6 mt-30 -46.2 -89.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 105' ' ' GLN . . . 84.44 -48.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' GLN . 34.5 mt-30 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' GLN . 1.0 OUTLIER -37.49 -50.0 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.756 ' HB2' ' OE1' ' A' ' 105' ' ' GLN . . . -41.0 -55.59 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLY . . . . . 0.469 ' HA3' ' CB ' ' A' ' 56' ' ' SER . . . 175.84 -77.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 m . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.831 HG22 ' CD1' ' A' ' 14' ' ' LEU . 12.6 mt -125.97 132.8 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.864 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -119.2 125.13 48.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.045 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -129.79 163.22 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.769 HG22 HD11 ' A' ' 74' ' ' LEU . 2.0 t -139.97 130.52 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.702 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 40.5 tp60 -131.97 95.62 21.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.92 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 39.5 p -116.33 -145.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -27.91 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -58.63 152.21 47.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.89 8.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.49 99.44 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.01 -28.65 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -87.66 131.33 34.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 t -141.5 152.21 43.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 1.045 ' CD2' HD12 ' A' ' 14' ' ' LEU . 5.7 m-85 -115.04 154.92 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -131.51 177.45 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -137.32 141.04 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 95.6 m-85 -143.55 176.34 9.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.12 -52.47 3.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -100.3 163.86 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.401 HG13 ' CE ' ' A' ' 36' ' ' MET . 3.2 t -70.45 -47.74 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.549 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -48.2 -54.25 14.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 56.6 mm-40 -49.53 -54.3 18.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 3.3 t -42.81 -57.73 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.761 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.0 mpp? -56.65 -37.74 71.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.89 -45.83 10.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.94 -28.56 58.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.538 HG13 ' CE ' ' A' ' 42' ' ' MET . 47.5 t -74.01 -66.17 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -41.8 -49.84 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.6 mmtp -41.43 -53.03 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.538 ' CE ' HG13 ' A' ' 39' ' ' VAL . 40.8 mtm -35.44 -48.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.751 ' HB2' HD13 ' A' ' 64' ' ' LEU . 9.6 t80 -74.06 -53.28 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.4 mt-10 -43.02 -62.78 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -40.38 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 6.7 t60 -69.53 -20.92 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.712 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.3 mp -86.66 -45.25 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.01 -64.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -45.29 -42.51 9.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 39.2 mtp -73.13 -34.74 66.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.3 m-80 -122.56 100.59 41.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' PRO . 34.7 m-80 -56.03 -35.24 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -38.5 98.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.96 -42.04 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.6 m -122.35 -0.25 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.14 167.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.43 133.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.712 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 27.8 p90 -173.08 177.29 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.69 130.75 41.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 102' ' ' LEU . 1.4 tt -63.66 -24.82 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 -36.52 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -65.1 -21.25 66.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -75.41 -38.05 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.7 m-30 -71.07 -16.46 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 -17.77 56.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.62 -19.85 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.776 ' HA ' HD12 ' A' ' 71' ' ' LEU . 11.0 mt -71.11 -31.52 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.2 -48.43 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -44.04 -40.01 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 1.061 HD13 HD13 ' A' ' 74' ' ' LEU . 11.8 mt -54.15 172.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -81.64 -42.31 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 177.64 120.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.061 HD13 HD13 ' A' ' 71' ' ' LEU . 1.5 tp -98.64 135.91 39.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -138.76 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.438 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 7.9 p -155.52 151.15 27.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -115.42 119.43 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.3 t -107.29 123.87 62.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -90.42 118.98 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 3.0 ptt180 -108.09 104.82 14.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.16 -26.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 10.2 t0 -40.74 -57.2 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -125.9 13.72 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 44.02 60.58 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -140.46 159.47 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.578 ' HD2' HD12 ' A' ' 77' ' ' LEU . 25.6 p90 -105.51 124.35 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 mm100 -102.4 117.29 61.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.441 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.02 108.93 2.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 20.9 m-30 -98.01 179.55 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -98.89 176.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.983 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.7 ptpt -66.19 -41.26 90.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -47.63 30.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.514 ' CE2' ' HE3' ' A' ' 97' ' ' LYS . 11.0 t90 -56.5 -33.35 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.983 HD12 ' HA ' ' A' ' 91' ' ' LYS . 9.2 mt -78.83 -42.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 68' ' ' ILE . 32.7 mtmt -61.27 -15.22 32.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 100' ' ' VAL . 5.7 mm-40 -91.72 -53.67 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -54.82 -55.06 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.806 ' O ' HD22 ' A' ' 102' ' ' LEU . 18.9 tt -42.62 -58.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.602 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.7 t80 -48.91 -48.15 42.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 96' ' ' GLU . 25.9 t -67.75 -30.87 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -63.07 -28.58 70.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.89 -57.91 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -67.2 -42.12 84.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.758 HG22 ' CD1' ' A' ' 14' ' ' LEU . 57.6 mt -128.34 128.79 68.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.529 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -118.93 124.06 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.758 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.24 -176.08 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -152.73 142.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 33.6 tp60 -141.25 96.03 7.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.648 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.04 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.5 p -115.31 -142.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -129.07 30.9 4.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -113.59 149.8 42.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.87 19.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 56.39 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 169.07 -31.0 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLY . 7.2 t -127.7 162.37 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 2.2 m-85 -144.35 159.12 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -122.71 168.48 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -137.23 117.29 13.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -125.9 -178.29 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.78 -29.52 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.58 169.77 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.33 -48.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.2 p-10 -52.48 -35.41 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.6 -43.79 97.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.3 m -61.29 -45.41 94.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.573 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.6 mmt -50.96 -54.46 24.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.0 tt0 -37.49 -57.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.75 -46.17 4.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.34 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 6.0 t -49.55 -47.78 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.0 mmtp -42.67 -52.49 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.424 ' SD ' HG21 ' A' ' 15' ' ' VAL . 35.8 mtm -35.84 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.604 ' HB2' HD13 ' A' ' 64' ' ' LEU . 2.8 t80 -75.6 -54.21 7.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.3 mt-10 -41.47 -61.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.34 -33.35 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' TYR . 10.7 t60 -78.33 -23.22 47.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.623 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.706 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -84.69 -45.99 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -37.47 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -41.31 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 46.1 mtp -72.55 -33.43 66.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.2 m-80 -126.17 102.45 27.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.41 ' H ' ' ND2' ' A' ' 53' ' ' ASN . 11.2 m-80 -52.33 -36.73 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -41.47 100.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.8 t -120.63 0.1 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.68 167.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -177.43 133.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.706 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 23.8 p90 -170.2 -177.94 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.5 125.96 30.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.8 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -56.15 -30.42 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -31.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -71.08 -22.91 62.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.41 -39.12 33.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 14.7 m-30 -69.89 -19.37 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -23.49 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -28.42 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.479 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 17.1 mt -58.64 -46.93 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.19 -44.75 83.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -42.03 -45.77 3.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.4 mt -47.69 157.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -67.07 -32.15 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 t0 163.29 111.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.88 143.16 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -142.85 179.47 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.7 p -153.63 157.67 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.521 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.0 mm? -122.0 110.14 15.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.3 t -97.87 133.46 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 4.3 t80 -91.81 137.91 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -131.1 91.89 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -48.92 -23.74 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -51.97 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.5 p -121.03 -5.07 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 60.66 73.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -161.81 163.57 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.521 ' HD2' HD12 ' A' ' 77' ' ' LEU . 25.6 p90 -106.62 123.74 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.9 mm100 -99.71 117.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.47 2.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 13.8 m-30 -99.92 179.94 4.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -108.29 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.809 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -67.13 -33.52 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -53.54 -33.0 53.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.638 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 35.3 t90 -76.4 -29.22 57.02 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.971 ' O ' HG22 ' A' ' 98' ' ' ILE . 21.1 mt -76.53 -51.3 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 46.3 mtmt -47.45 -24.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.858 ' O ' HG23 ' A' ' 100' ' ' VAL . 6.3 mm-40 -79.09 -47.11 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.638 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -65.67 -64.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.979 ' O ' HD22 ' A' ' 102' ' ' LEU . 3.4 tt -38.56 -45.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.8 ' CD2' HG21 ' A' ' 61' ' ' ILE . 3.0 t80 -60.02 -54.96 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 96' ' ' GLU . 21.6 t -62.36 -27.21 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -64.16 -30.79 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.979 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.0 -27.96 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.6 mmm180 -58.49 -57.07 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 6.0 ptm180 -68.74 -47.69 65.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.341 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 77' ' ' LEU . 22.6 m . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 110.418 -0.215 . . . . 0.0 110.418 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.817 HG22 ' CD1' ' A' ' 14' ' ' LEU . 72.6 mt -104.85 136.2 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -130.84 123.95 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.817 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.32 179.79 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -150.14 126.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.577 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 34.4 tp60 -128.99 94.41 34.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 70.9 p -117.71 -140.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.43 30.51 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.81 150.86 41.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.69 76.79 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.23 43.28 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 102.93 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.3 t -128.85 177.25 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 3.7 m-85 -139.43 179.91 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.83 172.03 14.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.45 126.21 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 82.4 m-85 -126.94 -178.57 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.73 -39.22 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 -176.96 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.24 -50.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 101' ' ' LEU . 1.2 p30 -48.52 -52.59 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 8.9 mm-40 -46.31 -47.03 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.48 -46.95 83.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 1.0 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.9 mmt -55.81 -48.82 74.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.2 mt-10 -37.84 -65.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.7 -52.66 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 70.6 t -54.57 -48.76 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.7 t -64.61 -37.53 87.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.8 mmtp -60.64 -53.04 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -36.26 -67.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.577 ' CB ' HD13 ' A' ' 64' ' ' LEU . 49.6 t80 -52.88 -49.29 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.27 -42.73 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.2 -53.51 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.49 -18.1 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.714 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -86.66 -49.76 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HG2' HD11 ' A' ' 57' ' ' ILE . 22.3 mttt -45.19 -52.51 9.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.14 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.58 -39.12 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 1.9 m-80 -112.97 96.14 37.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.797 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -65.14 -32.99 74.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -39.41 107.18 0.43 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -125.28 0.65 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.596 HD11 ' HG2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER 68.29 168.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.537 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.99 136.35 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.714 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -171.38 -177.83 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.04 126.22 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -53.71 -34.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -62.08 -33.02 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.11 -46.21 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.979 HD21 HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -52.7 -46.0 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 95' ' ' LYS . 17.3 m-30 -65.94 -30.01 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -52.01 -22.99 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -22.28 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 95' ' ' LYS . 19.8 mt -63.92 -56.96 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.49 -45.66 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -41.38 -45.49 3.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 46.8 mt -49.19 165.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -77.44 -29.08 52.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 165.05 108.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.39 131.61 46.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 178.62 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.71 ' SG ' HD11 ' A' ' 94' ' ' ILE . 19.6 p -158.44 161.92 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.258 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -129.28 130.82 46.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.681 HG21 ' CH2' ' A' ' 93' ' ' TRP . 33.7 t -110.77 131.07 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.82 127.33 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.433 ' CD ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -125.85 87.58 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.0 -28.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -49.77 -43.29 48.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.433 ' OG1' ' CD ' ' A' ' 80' ' ' ARG . 41.0 p -117.48 -8.14 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 55.18 65.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 t -160.51 170.28 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.629 ' HD2' HD12 ' A' ' 77' ' ' LEU . 27.6 p90 -115.11 129.12 56.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 8.3 mm100 -97.55 111.47 58.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.0 108.1 2.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 98.4 m-85 -106.92 156.53 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -91.34 168.46 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -55.49 -37.58 68.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -46.72 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.681 ' CH2' HG21 ' A' ' 78' ' ' VAL . 51.9 t90 -53.83 -54.38 39.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.047 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.01 ' O ' HG22 ' A' ' 98' ' ' ILE . 3.4 mt -57.39 -54.97 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.529 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 26.1 mtmt -34.95 -35.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' ILE . 4.4 mm-40 -76.64 -55.95 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -52.88 -53.91 42.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.01 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -52.7 -44.13 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.467 ' HD2' HG23 ' A' ' 100' ' ' VAL . 18.9 t80 -65.7 -60.68 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 99' ' ' TYR . 61.3 t -57.29 -24.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.485 ' CD1' ' CB ' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.93 -35.87 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.971 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.8 -33.86 27.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -56.91 -46.12 82.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 13.0 ptm180 -74.62 -48.51 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.7 mt-30 . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 32' ' ' VAL . 37.0 m . . . . . 0 N--CA 1.454 -0.274 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.729 HG22 ' CD1' ' A' ' 14' ' ' LEU . 42.5 mt -130.74 131.28 64.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.619 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.5 tm? -126.22 123.77 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.808 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -125.69 -179.57 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.677 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -145.27 141.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.513 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 33.3 tp60 -144.76 95.25 5.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.838 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 6.3 p -107.34 -143.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -37.81 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -54.51 155.99 6.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -8.65 20.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.77 105.55 17.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 28.41 2.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.05 144.81 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 t -163.29 169.13 19.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -129.62 171.3 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.43 176.78 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -157.32 135.65 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 6.2 m-85 -134.84 179.89 6.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -82.05 -36.81 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -178.19 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.461 HG22 ' OG1' ' A' ' 11' ' ' THR . 2.5 t -91.74 -53.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.423 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 3.3 p-10 -47.62 -41.6 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.6 mm-40 -55.85 -47.12 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.37 -33.36 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.926 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.5 mpp? -74.41 -29.18 61.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.11 -47.0 65.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -40.18 66.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -56.28 -68.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -43.0 -52.36 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.6 mmtp -41.1 -55.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.677 ' SD ' HG21 ' A' ' 15' ' ' VAL . 31.2 mtm -35.71 -44.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.669 ' HB2' HD13 ' A' ' 64' ' ' LEU . 26.5 t80 -79.81 -52.94 7.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.2 mm-40 -47.63 -55.34 9.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -50.3 -30.36 11.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 22.9 t60 -81.29 -25.66 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.581 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.711 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -79.06 -47.99 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.36 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -40.34 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 8.7 mmm -72.8 -34.98 67.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.7 m-80 -129.45 102.22 18.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -46.45 -31.75 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 9.9 p -43.7 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.81 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.3 t -124.48 -0.99 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 66.25 167.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.53 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -179.91 134.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.711 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 24.1 p90 -170.81 -174.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.54 124.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.936 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -60.88 -21.98 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 m -75.84 -16.6 60.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 tp60 -90.76 -34.4 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -63.52 -43.41 97.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 68' ' ' ILE . 19.2 m-30 -66.55 -31.32 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -47.15 -26.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.402 ' N ' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -85.64 -33.64 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' HG2' ' A' ' 95' ' ' LYS . 14.9 mt -56.52 -41.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -43.66 98.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -45.15 -47.86 12.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.1 mt -44.07 160.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -73.6 -41.62 62.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.4 t70 177.32 105.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.5 tp -97.71 142.15 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' HD22 ' A' ' 14' ' ' LEU . 20.0 m -143.84 178.74 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.615 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 22.5 p -157.22 153.89 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -117.17 127.02 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.16 125.36 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -88.11 129.74 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.43 109.62 13.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -18.45 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -55.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.3 p -111.61 -11.04 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 63.0 59.56 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 t -149.11 -175.02 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.574 ' HD2' HD12 ' A' ' 77' ' ' LEU . 19.6 p90 -118.56 122.46 42.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.94 110.13 52.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 108.72 2.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -101.93 162.74 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -85.39 172.8 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.923 ' HA ' HD12 ' A' ' 94' ' ' ILE . 6.1 ptmt -64.14 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 3.0 t70 -57.16 -38.03 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.618 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 18.4 t90 -64.74 -22.63 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.926 HG23 ' SD ' ' A' ' 36' ' ' MET . 11.0 mt -88.1 -39.88 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HG2' HD13 ' A' ' 68' ' ' ILE . 30.9 mtmt -58.74 -15.75 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 33.6 mm-40 -90.69 -59.59 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -49.09 -55.63 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.871 ' O ' HD22 ' A' ' 102' ' ' LEU . 17.9 tt -41.92 -58.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.509 ' H ' HG23 ' A' ' 98' ' ' ILE . 10.0 t80 -52.99 -55.14 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.12 -27.51 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -70.0 -31.66 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.936 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -82.91 -24.5 33.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.9 mmm180 -64.08 -58.32 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -40.6 88.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.833 HG22 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -104.86 129.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.5 tm? -121.34 126.29 49.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.084 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.22 179.74 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.9 t -152.27 120.56 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.904 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 11.7 tp60 -121.91 95.28 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.98 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 64.4 p -126.1 -139.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -117.16 -37.8 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -47.91 149.02 2.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.86 21.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 97.64 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.47 -42.7 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.72 117.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -144.41 137.66 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 1.084 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.3 m-85 -113.24 174.12 6.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -145.64 175.83 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -142.76 134.3 26.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 89.5 m-85 -138.62 -178.86 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -113.67 -35.26 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.58 144.09 42.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 ' SD ' ' A' ' 36' ' ' MET . 24.5 t -57.49 -32.45 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.504 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.44 -52.42 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.2 mm-40 -47.43 -36.42 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.416 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.5 t -63.53 -67.42 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.954 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -36.77 -51.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -61.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.94 -44.94 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.77 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -41.5 -48.96 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' MET . 37.2 mmtt -40.66 -52.09 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' LYS . 45.2 mtm -34.97 -72.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.721 ' HB2' HD13 ' A' ' 64' ' ' LEU . 7.3 t80 -50.63 -48.66 57.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.76 -45.56 40.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.64 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -48.94 -23.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.0 mp -82.81 -48.02 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.82 -63.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -42.53 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -115.7 102.62 54.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -57.74 -35.05 70.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.78 100.38 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.42 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.3 m -124.26 0.97 8.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.73 167.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -178.14 133.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.71 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.1 p90 -171.41 -169.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -81.22 123.97 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.743 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -60.62 -28.37 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -26.98 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.01 -14.42 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -81.27 -44.49 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 68' ' ' ILE . 18.3 m-30 -68.16 -15.79 63.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.66 47.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -19.87 19.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 23.4 mt -65.49 -40.56 88.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.75 -29.06 70.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.72 -26.93 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 91.0 mt -65.29 164.55 13.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.904 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -81.43 -40.2 23.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 44.9 t0 177.32 106.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.78 138.55 34.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.411 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -148.21 178.41 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.95 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.709 ' SG ' HD11 ' A' ' 94' ' ' ILE . 1.7 p -153.58 163.28 40.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.7 mm? -127.11 106.97 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' CH2' ' A' ' 93' ' ' TRP . 45.4 t -87.54 127.25 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -90.3 127.21 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.67 128.55 54.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.17 -12.26 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.36 -46.57 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.4 p -124.9 1.82 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 50.59 56.05 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 86' ' ' TYR . 12.8 t -135.66 -153.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.646 ' HD2' HD12 ' A' ' 77' ' ' LEU . 13.5 p90 -129.26 136.53 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -105.44 105.05 50.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.672 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 108.14 2.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.737 ' CD1' ' CD2' ' A' ' 93' ' ' TRP . 25.2 m-85 -106.49 153.92 21.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.89 164.76 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.885 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.26 -42.2 90.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -52.36 -45.83 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.737 ' CD2' ' CD1' ' A' ' 89' ' ' TYR . 74.9 t90 -53.7 -40.08 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.046 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 91' ' ' LYS . 6.5 mt -70.45 -52.79 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.41 ' HD3' HG21 ' A' ' 68' ' ' ILE . 40.9 mtmt -40.09 -38.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 100' ' ' VAL . 49.3 mm-40 -74.27 -43.88 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -62.99 -62.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.894 ' O ' HD22 ' A' ' 102' ' ' LEU . 15.4 tt -39.25 -53.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.233 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.743 ' CD2' HG21 ' A' ' 61' ' ' ILE . 3.3 t80 -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 96' ' ' GLU . 20.4 t -61.71 -32.86 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.954 HD22 ' HB3' ' A' ' 36' ' ' MET . 0.1 OUTLIER -60.32 -30.2 69.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.08 -27.15 30.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.7 mmm180 -59.99 -58.94 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.55 -45.63 78.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.7 m . . . . . 0 N--CA 1.453 -0.301 0 N-CA-C 110.385 -0.228 . . . . 0.0 110.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.841 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.8 mt -96.55 136.97 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -127.47 123.16 35.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.841 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.77 -172.53 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.6 t -162.4 122.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 34.9 tp60 -125.66 95.9 39.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.662 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.01 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.5 p -112.65 -143.96 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -129.78 30.95 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -112.99 147.14 36.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.46 20.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.07 79.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.42 -35.89 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.84 138.82 38.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -152.18 158.29 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.834 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.8 m-85 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -155.52 176.86 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.61 139.24 27.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.0 177.17 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 31' ' ' SER . 8.6 pt-20 -98.73 -38.34 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 41.2 m -119.55 160.18 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.7 t -72.71 -42.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.1 p-10 -55.58 -38.63 69.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -65.83 -37.8 87.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.73 -44.92 96.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 108.255 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.0 mmt -59.3 -46.76 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -37.62 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.72 -59.73 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -45.75 -47.63 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' GLU . 43.4 t -62.5 -39.58 93.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.3 mttm -54.21 -50.6 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.463 ' SD ' HG21 ' A' ' 15' ' ' VAL . 26.3 mtm -34.41 -71.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.798 ' HB2' HD13 ' A' ' 64' ' ' LEU . 15.1 t80 -51.92 -45.52 64.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -46.33 69.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.35 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -52.24 -21.55 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.568 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.642 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 3.6 mp -81.94 -48.69 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -38.33 -62.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -40.93 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.77 -38.96 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -125.46 101.64 30.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -49.05 -34.39 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 18.7 p -41.58 101.31 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.59 -1.85 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.57 167.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.532 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.29 134.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.642 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.7 p90 -171.04 -178.01 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 127.08 33.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.911 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -53.41 -39.29 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -30.19 54.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -76.49 -44.85 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -54.83 -49.2 71.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.764 ' CD1' HD12 ' A' ' 68' ' ' ILE . 18.5 m-30 -68.55 -15.68 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 21.2 t0 -58.48 -27.23 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -24.32 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' A' ' 65' ' ' PHE . 20.7 mt -56.68 -37.23 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.19 -33.59 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 74.2 mt -57.39 171.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.705 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -86.65 -40.55 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 177.19 109.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.03 140.85 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.76 179.2 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.621 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 7.0 p -157.1 160.54 38.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.611 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -127.16 115.45 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.54 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 35.2 t -100.22 143.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -98.1 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 84.48 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.07 -27.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.3 -38.67 42.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.432 ' OG1' HG22 ' A' ' 85' ' ' THR . 43.0 p -125.02 3.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 43.71 72.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.432 HG22 ' OG1' ' A' ' 83' ' ' THR . 15.1 t -167.91 164.82 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.611 ' HD2' HD12 ' A' ' 77' ' ' LEU . 37.3 p90 -109.3 116.7 32.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.86 111.48 53.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.508 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.617 ' CD2' ' CE2' ' A' ' 93' ' ' TRP . 18.5 m-85 -100.88 -179.56 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -100.07 -175.54 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.95 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.88 -33.31 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.62 -41.41 81.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.635 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 55.1 t90 -64.12 -33.0 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.046 ' O ' HG22 ' A' ' 98' ' ' ILE . 13.7 mt -75.19 -54.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 43.8 mtmt -43.71 -27.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 7.8 mm-40 -76.14 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.635 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.48 -55.44 10.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.046 HG22 ' O ' ' A' ' 94' ' ' ILE . 5.3 tt -50.93 -51.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 7.5 t80 -57.97 -55.23 37.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.87 -24.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.547 HD23 HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -72.91 -34.13 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.911 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -79.24 -29.39 42.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.0 mmm180 -56.18 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.1 ptm180 -67.05 -48.08 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.527 HG22 ' SG ' ' A' ' 35' ' ' CYS . 2.4 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.371 -0.233 . . . . 0.0 110.371 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.799 HG22 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -91.39 124.57 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.648 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -119.31 123.86 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.799 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -124.36 -174.82 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -153.17 138.36 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.634 HE22 ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -132.04 95.64 21.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -42.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 49.2 p -141.34 -63.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.634 ' N ' HE22 ' A' ' 16' ' ' GLN . 1.1 mmtt 164.39 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LYS . 23.8 mmt180 -38.11 144.16 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.02 -11.13 21.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.55 -13.34 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.63 53.07 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -158.31 120.8 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -150.07 176.45 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -137.95 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.87 172.93 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.53 126.8 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 93.5 m-85 -124.77 -178.61 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -93.07 -29.05 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.06 171.52 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 2.2 t -75.44 -52.11 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 69.4 m-20 -39.93 -58.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 8.5 mm-40 -40.55 -46.77 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.527 ' SG ' HG22 ' A' ' 11' ' ' THR . 76.0 m -58.35 -51.04 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.923 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.6 mmt -50.19 -32.04 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -60.73 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.93 -38.03 7.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 42' ' ' MET . 49.2 t -62.36 -70.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.625 ' SG ' HD22 ' A' ' 64' ' ' LEU . 3.3 t -42.71 -52.42 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' CYS . 8.8 mmtp -34.15 -50.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.0 mtm -36.21 -57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.793 ' HB2' HD13 ' A' ' 64' ' ' LEU . 9.5 t80 -67.39 -47.3 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -43.04 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 42' ' ' MET . 2.0 pt-20 -47.59 -45.66 27.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.69 -24.91 64.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -84.78 -46.07 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -37.96 -61.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -41.25 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.89 -41.48 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -116.87 104.38 51.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' PRO . 10.7 p30 -55.17 -36.46 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -38.98 99.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.98 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -120.24 0.13 10.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.07 167.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.97 132.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.8 p90 -166.81 170.62 12.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 6.3 m-20 -79.69 139.52 37.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.766 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -60.18 -25.35 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -16.38 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 21.7 mm-40 -86.45 -19.72 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -80.64 -39.2 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.698 ' HD1' HD12 ' A' ' 68' ' ' ILE . 23.2 m-30 -71.78 -8.96 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.69 -21.09 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -96.44 -32.62 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.727 HG21 ' HD2' ' A' ' 95' ' ' LYS . 24.7 mt -54.0 -25.73 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -77.22 -23.33 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' PHE . 8.8 t0 -75.16 -34.34 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.33 163.09 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.34 -38.57 50.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 164.81 112.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.5 tp -103.12 145.17 30.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.405 ' O ' HD22 ' A' ' 14' ' ' LEU . 22.1 m -148.83 178.76 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 15.9 t -154.22 156.16 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.6 mm? -119.0 136.96 53.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.94 123.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.3 128.62 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 ptp85 -125.95 101.68 6.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.19 -26.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -43.89 -55.36 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -117.57 -8.63 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 61.11 59.38 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.51 163.42 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 44.2 p90 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' ' 89' ' ' TYR . 6.8 tm0? -83.06 112.81 41.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.497 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.91 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.562 1.822 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CD1' ' CG ' ' A' ' 93' ' ' TRP . 32.7 m-85 -118.59 129.53 55.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' HD12 ' A' ' 94' ' ' ILE . 1.4 m120 -69.77 157.77 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' LEU . 7.3 pttp -44.58 -42.03 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -54.22 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.716 ' CG ' ' CD1' ' A' ' 89' ' ' TYR . 83.0 t90 -50.1 -47.66 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.923 HG23 ' SD ' ' A' ' 36' ' ' MET . 3.5 mp -62.73 -53.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.727 ' HD2' HG21 ' A' ' 68' ' ' ILE . 12.1 mtpt -41.32 -33.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 100' ' ' VAL . 51.8 mm-40 -72.6 -45.3 59.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -64.11 -63.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.954 ' O ' HD22 ' A' ' 102' ' ' LEU . 11.7 tt -40.88 -49.27 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.766 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.4 t80 -54.17 -47.97 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 96' ' ' GLU . 14.9 t -71.17 -29.73 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -59.65 -38.16 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.32 -37.84 60.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -63.58 -44.98 92.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -75.99 -33.6 59.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.382 -0.229 . . . . 0.0 110.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.828 HG22 ' CD1' ' A' ' 14' ' ' LEU . 16.0 mt -99.47 123.45 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.786 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.8 tm? -119.05 123.65 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 1.024 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.51 178.12 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.763 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -147.67 126.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.01 88.52 54.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HA ' HD23 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.94 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 3.5 p -138.48 172.05 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -79.71 52.39 1.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -121.26 122.77 28.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 20' ' ' ARG . 3.3 mt-10 -102.68 68.34 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.65 -39.44 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.0 131.37 31.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -151.01 147.95 27.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 1.024 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.9 m-85 -111.21 178.2 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.23 176.43 12.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.54 134.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -131.54 173.96 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -93.79 -48.05 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.6 m -105.0 165.72 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.43 -38.85 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.2 p-10 -54.5 -30.77 54.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.81 -48.92 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' HD23 ' A' ' 13' ' ' LEU . 7.8 t -46.26 -44.78 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.857 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.0 mmt -60.0 -49.21 78.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -38.85 -63.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.82 -38.91 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.421 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 47.7 t -71.75 -45.96 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' GLU . 38.0 t -63.85 -35.12 79.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' MET . 9.6 mmtp -61.63 -53.64 53.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.763 ' SD ' HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -35.24 -67.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CB ' HD13 ' A' ' 64' ' ' LEU . 59.1 t80 -53.73 -53.25 54.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.5 mt-10 -42.67 -46.54 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 47' ' ' LEU . 5.5 mm-40 -48.69 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -46.96 -24.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.568 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -83.65 -48.56 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -39.16 -59.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -40.03 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -71.77 -42.28 67.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.32 103.71 54.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' PRO . 29.9 m-80 -55.46 -36.2 66.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -38.53 98.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.96 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -123.82 0.85 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.56 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.534 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -174.45 132.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.2 p90 -169.54 -176.74 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.92 120.26 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -50.87 -31.06 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.6 p -66.36 -34.56 78.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.6 tp60 -70.95 -49.65 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -45.24 -44.61 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' HD12 ' A' ' 68' ' ' ILE . 13.8 m-30 -66.34 -31.29 71.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLN . 3.1 t0 -51.54 -23.65 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -93.43 -22.85 18.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 65' ' ' PHE . 39.6 mt -67.98 -44.12 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.86 -31.49 72.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.5 -33.89 71.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 17' ' ' PRO . 67.0 mt -57.34 162.1 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -70.51 -44.3 67.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.3 t0 178.08 108.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 tp -100.24 139.5 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.96 179.16 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.666 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.8 p -157.28 164.07 38.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 76' ' ' CYS . 2.1 mm? -126.94 126.95 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.516 HG21 ' CH2' ' A' ' 93' ' ' TRP . 13.4 t -111.52 141.55 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -91.79 143.98 25.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLN . 10.9 ptm180 -142.09 109.93 5.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.87 -14.82 37.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -53.68 -49.15 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.2 p -126.05 1.4 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mm-40 52.83 69.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 9.6 t -154.42 -171.23 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.636 ' HD2' HD12 ' A' ' 77' ' ' LEU . 22.0 p90 -116.81 130.66 56.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.59 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 6.9 mm100 -100.33 108.76 54.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.663 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 54.5 m-85 -106.46 131.88 53.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -178.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.991 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.6 OUTLIER -72.53 -38.04 68.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.56 -40.66 60.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.596 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 70.1 t90 -62.67 -47.04 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.069 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.011 ' O ' HG22 ' A' ' 98' ' ' ILE . 7.8 mt -60.11 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 68' ' ' ILE . 37.2 mtmt -54.48 -19.04 4.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.765 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -91.54 -19.96 22.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -95.19 -55.19 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.011 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -49.0 -42.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.628 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -64.3 -64.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 96' ' ' GLU . 7.5 p -55.65 -24.1 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -63.6 -39.26 93.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.9 -25.97 40.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 23.0 mmm180 -62.99 -53.39 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.429 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.3 ptm85 -69.31 -43.44 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.5 mt-30 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 35' ' ' CYS . 18.3 m . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 110.439 -0.208 . . . . 0.0 110.439 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.821 HG22 ' CD1' ' A' ' 14' ' ' LEU . 18.7 mt -102.47 125.09 56.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.77 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.7 tm? -120.27 125.01 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.821 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.68 178.38 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.68 131.46 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.658 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 41.2 tp60 -133.2 96.02 17.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.634 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.0 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 37.4 p -110.94 -150.81 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 -31.22 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -57.76 152.77 35.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.58 18.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.95 -17.09 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.21 62.1 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -117.85 75.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -116.8 141.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.3 m-85 -137.79 168.02 20.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.47 175.73 9.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.67 123.4 14.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.9 177.94 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.94 -38.26 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.79 169.61 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.42 -52.32 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.534 ' O ' HD13 ' A' ' 101' ' ' LEU . 4.0 p-10 -48.42 -34.46 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HB2' HG21 ' A' ' 11' ' ' THR . 7.7 t -53.09 -45.0 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.533 ' HE1' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -62.25 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.84 -55.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.16 -41.82 31.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' MET . 78.4 t -64.31 -70.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -38.45 -52.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' CYS . 10.7 mmtp -36.77 -49.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 23.3 mtm -34.18 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.72 ' HB2' HD13 ' A' ' 64' ' ' LEU . 7.8 t80 -56.98 -50.59 72.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -36.98 -68.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.9 mm-40 -40.05 -67.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 2.7 t60 -41.02 -32.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.8 mp -81.54 -46.96 13.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -37.41 -62.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -41.87 47.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -69.32 -36.83 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -122.54 103.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' PRO . 11.8 p30 -50.37 -36.36 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.16 98.52 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -75.06 -40.92 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.8 m -122.08 -0.06 9.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.25 168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.54 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -170.32 131.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 19.3 p90 -169.15 -179.32 3.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 80.3 m-20 -85.6 122.42 29.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.625 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -49.99 -29.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -30.47 56.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 33.0 mm-40 -70.99 -25.89 62.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -74.93 -41.44 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.668 ' HD1' HD12 ' A' ' 68' ' ' ILE . 19.6 m-85 -70.73 -13.02 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.31 -20.98 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.78 -35.76 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.668 HD12 ' HD1' ' A' ' 65' ' ' PHE . 23.5 mt -57.39 -20.11 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.53 -28.67 52.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -68.79 -36.09 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.1 mt -46.11 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -89.09 -42.46 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 t0 177.22 106.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 7.4 tp -101.25 135.94 41.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' TYR . 1.1 m -138.94 176.47 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.599 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.8 p -150.91 154.81 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.1 mm? -121.46 118.08 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -105.16 129.09 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.77 126.17 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLN . 8.7 ptm180 -123.88 112.54 17.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.18 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -51.92 64.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.7 p -119.87 -4.89 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.4 mm-40 58.91 66.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -157.29 164.39 37.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.601 ' HD2' HD12 ' A' ' 77' ' ' LEU . 29.4 p90 -106.56 118.35 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -91.6 112.45 54.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 118.93 5.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.1 m-30 -117.06 149.2 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.79 -171.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.993 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -79.2 -17.56 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -48.01 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.625 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 29.5 t90 -60.16 -35.76 76.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.993 HD12 ' HA ' ' A' ' 91' ' ' LYS . 15.6 mt -70.06 -55.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.624 ' HD2' HG21 ' A' ' 68' ' ' ILE . 4.1 mtpp -50.65 -22.47 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.862 ' O ' HG23 ' A' ' 100' ' ' VAL . 3.5 mm-40 -80.63 -44.98 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.625 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -68.9 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.897 HG22 ' O ' ' A' ' 94' ' ' ILE . 11.7 tt -38.57 -48.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.3 t80 -55.78 -49.23 73.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 96' ' ' GLU . 17.6 t -68.05 -27.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -64.71 -31.77 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.01 -33.57 44.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.445 ' HA ' ' NH1' ' A' ' 103' ' ' ARG . 4.9 mmm180 -53.36 -56.84 13.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.1 ptm180 -69.05 -50.0 52.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 ' SG ' ' A' ' 35' ' ' CYS . 38.7 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.399 -0.222 . . . . 0.0 110.399 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.813 HG22 ' CD1' ' A' ' 14' ' ' LEU . 11.0 mt -122.79 126.1 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.841 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -121.25 123.49 42.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.841 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -130.92 176.64 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.33 140.99 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.615 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 25.3 tp60 -146.14 93.55 5.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.78 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.01 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 67.1 p -110.3 -143.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.52 -39.42 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -44.55 152.2 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -13.25 21.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.46 99.53 4.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 131.31 -38.16 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 21' ' ' PRO . 65.1 mtm180 -41.64 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.0 t -121.24 153.08 38.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.2 m-85 -135.26 169.91 16.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.46 177.14 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.57 134.15 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -123.74 169.79 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -50.02 10.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.8 p -118.16 177.81 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.51 HG13 ' CE ' ' A' ' 36' ' ' MET . 1.5 t -77.32 -49.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.558 ' HA ' HD13 ' A' ' 101' ' ' LEU . 61.0 m-20 -41.15 -48.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.47 -38.73 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 11' ' ' THR . 49.2 t -52.04 -57.02 10.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.303 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.845 ' SD ' HG23 ' A' ' 94' ' ' ILE . 1.5 mpp? -64.47 -48.5 74.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' MET . 3.5 tt0 -37.41 -53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -42.61 -43.69 5.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.657 HG13 ' HE3' ' A' ' 42' ' ' MET . 74.4 t -61.97 -52.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.6 t -45.38 -35.86 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -57.11 -52.23 66.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.657 ' HE3' HG13 ' A' ' 39' ' ' VAL . 28.2 mtm -34.09 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.621 ' HB2' HD13 ' A' ' 64' ' ' LEU . 14.6 t80 -48.27 -53.97 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.26 -42.8 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.59 -65.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -50.05 -22.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.65 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.6 mp -83.67 -48.12 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.83 -62.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -42.44 38.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -69.37 -40.73 77.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.96 102.65 52.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.8 -35.46 70.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -40.98 100.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -122.95 0.77 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.58 167.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.547 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -175.53 133.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.65 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.6 p90 -170.99 -174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLN . 4.2 m-20 -83.17 121.41 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -43.85 -35.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -44.76 83.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.52 ' O ' ' CZ ' ' A' ' 43' ' ' TYR . 3.2 tp60 -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.888 HD21 HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -65.63 -42.53 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 17.6 m-30 -68.67 -23.94 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.55 -23.85 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -29.98 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.663 HD13 ' HG3' ' A' ' 95' ' ' LYS . 15.1 mt -60.91 -28.04 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -50.18 40.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.52 -44.22 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 93.5 mt -45.58 157.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -78.67 -34.6 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 169.13 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 tp -99.24 140.4 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.737 ' HA ' HD11 ' A' ' 94' ' ' ILE . 38.2 m -146.82 177.34 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 77' ' ' LEU . 21.8 p -158.46 160.61 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.269 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.5 mm? -120.99 131.0 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 32' ' ' VAL . 38.0 t -120.4 124.01 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.44 136.72 40.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.414 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -137.49 85.27 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.75 -33.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.36 -46.25 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.7 p -114.21 -16.19 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.64 55.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 86' ' ' TYR . 1.6 t -154.46 -174.43 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.511 ' HD2' HD12 ' A' ' 77' ' ' LEU . 27.5 p90 -120.4 124.32 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.44 ' NE2' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -94.74 111.37 54.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.49 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.98 108.09 2.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 19.2 m-85 -99.0 134.95 41.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.09 165.87 24.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.87 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.23 -31.24 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.71 -45.69 91.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 6.9 t90 -66.81 -33.6 75.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.003 ' O ' HG22 ' A' ' 98' ' ' ILE . 19.9 mt -70.1 -55.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.663 ' HG3' HD13 ' A' ' 68' ' ' ILE . 7.4 mtpt -42.52 -28.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.616 ' O ' HG12 ' A' ' 100' ' ' VAL . 2.0 mm-40 -75.29 -62.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.31 -55.93 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.015 ' O ' HD22 ' A' ' 102' ' ' LEU . 4.9 tt -50.7 -44.38 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.41 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.622 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.3 p -58.33 -21.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.558 HD13 ' HA ' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -67.09 -44.19 80.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.23 -34.52 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -62.0 -50.37 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.6 ptm180 -71.52 -41.23 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.4 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' CYS . 78.2 m . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.411 -0.218 . . . . 0.0 110.411 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 14' ' ' LEU . 35.6 mt -111.37 125.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.744 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -120.63 124.23 44.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.797 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.22 -177.88 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.6 t -151.17 119.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.607 ' NE2' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -118.31 88.83 34.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.3 Cg_endo -75.04 -37.76 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 p -148.0 164.53 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -32.06 68.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -56.41 153.69 19.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.27 21.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -27.57 2.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.51 59.37 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -117.84 61.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.7 t -117.39 154.94 30.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.7 m-85 -140.15 177.95 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.15 176.9 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.0 p30 -144.5 133.04 22.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 96.7 m-85 -134.41 179.82 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.94 -28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 147.46 44.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.36 -51.39 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -44.62 -46.76 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 79.8 mm-40 -54.92 -51.37 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 11' ' ' THR . 11.0 t -45.99 -51.36 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.912 ' SD ' HG23 ' A' ' 94' ' ' ILE . 11.8 mmt -50.6 -48.66 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -38.72 -60.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.65 -42.19 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 94' ' ' ILE . 62.4 t -65.1 -51.45 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -62.43 -40.45 96.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 19.3 mmmt -51.43 -56.53 12.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -35.84 -67.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.737 ' HB2' HD13 ' A' ' 64' ' ' LEU . 18.6 t80 -57.02 -42.19 79.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.4 mt-10 -53.43 -40.98 65.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -55.3 -52.06 64.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -67.03 -11.5 57.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.54 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 2.9 mp -83.74 -43.78 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.2 mmtp -34.53 -70.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -41.45 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 26.0 mmm -68.27 -34.06 75.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 m-80 -142.1 98.98 6.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.98 -67.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.6 p30 -42.54 -28.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 43.3 p -36.82 98.98 0.17 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.99 -44.74 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.4 t -122.78 -2.07 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.49 167.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.33 133.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.434 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 30.9 p90 -178.12 158.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.11 162.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.878 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -90.48 -43.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -15.11 24.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -83.07 -29.21 28.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -87.79 -31.8 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.648 ' CE2' HG23 ' A' ' 61' ' ' ILE . 13.8 m-30 -72.76 -23.5 60.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -20.64 66.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.79 -26.38 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' HD3' ' A' ' 91' ' ' LYS . 38.1 mt -59.81 -53.9 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.32 -35.71 67.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.15 -36.93 43.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 mt -56.84 177.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.607 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -84.08 -44.05 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.7 t70 179.95 105.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.96 136.1 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -145.83 179.27 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.579 ' SG ' HD11 ' A' ' 94' ' ' ILE . 2.4 p -153.21 162.21 41.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -123.18 126.82 47.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.408 HG21 ' CH2' ' A' ' 93' ' ' TRP . 17.1 t -105.52 127.32 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -91.48 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -98.71 91.21 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 30.4 m-20 -45.21 -46.88 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -126.14 8.37 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 44.02 73.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -154.15 -177.22 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.542 ' HD2' HD12 ' A' ' 77' ' ' LEU . 22.4 p90 -123.22 126.3 46.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.583 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -101.1 111.59 63.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.6 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 82.3 m-85 -106.85 137.77 44.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -64.37 179.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.794 ' HA ' HD12 ' A' ' 94' ' ' ILE . 3.1 ptpp? -72.0 -38.65 69.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -45.02 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 77.4 t90 -55.72 -39.94 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.008 ' O ' HG22 ' A' ' 98' ' ' ILE . 7.8 mt -71.25 -54.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 37.1 mtmt -41.69 -29.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 100' ' ' VAL . 9.3 mm-40 -81.55 -44.38 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -65.56 -57.6 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.008 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.0 tt -44.32 -45.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.1 t80 -59.49 -51.08 71.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 96' ' ' GLU . 19.0 t -65.99 -30.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -57.57 -36.08 71.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.878 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -78.51 -35.83 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -56.73 -49.17 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.9 ptm180 -73.91 -47.05 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.3 mt-30 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.625 HG22 ' SG ' ' A' ' 35' ' ' CYS . 1.9 m . . . . . 0 N--CA 1.452 -0.328 0 N-CA-C 110.423 -0.214 . . . . 0.0 110.423 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.824 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.7 mt -121.08 124.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.601 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -119.04 122.04 41.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.824 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -124.25 172.1 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.449 HG21 ' CE ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -141.88 120.66 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.56 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 36.9 tp60 -123.04 96.34 44.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.701 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.521 1.8 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 73.2 p -116.9 -139.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -35.89 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -42.59 154.37 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.98 -23.85 13.43 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.43 -34.81 59.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.9 -23.71 51.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -61.98 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -131.26 157.2 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.5 m-85 -142.83 162.71 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.08 174.85 9.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.56 118.3 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HD1' ' HG ' ' A' ' 35' ' ' CYS . 87.0 m-85 -119.39 -177.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -84.27 -59.08 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 33' ' ' ASN . 3.3 m -117.04 176.76 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.499 HG13 ' CE ' ' A' ' 36' ' ' MET . 1.3 t -66.62 -52.9 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.559 ' CB ' HD13 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -39.89 -49.31 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.27 -44.8 75.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' HG22 ' A' ' 11' ' ' THR . 18.1 m -59.61 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.58 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.9 mmt -51.76 -59.0 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.501 ' OE1' ' CE ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -37.14 -61.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -37.53 -51.92 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 57.4 t -48.62 -45.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.982 ' HB2' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -74.22 -42.03 60.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CE ' ' OE1' ' A' ' 37' ' ' GLU . 8.2 mmtt -52.72 -36.16 57.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -57.54 -66.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 24.8 t80 -43.17 -51.87 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' TYR . 4.9 mt-10 -37.41 -50.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -48.8 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -49.16 -23.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -83.1 -48.14 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -38.22 -60.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -40.51 59.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.55 -41.45 72.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.97 100.43 52.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.29 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -58.67 -35.22 72.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -43.11 101.93 0.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -118.91 -0.55 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.81 167.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -176.11 136.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 6.9 p90 -170.13 -171.19 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 142.22 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.546 HD11 HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -56.34 -40.48 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -27.79 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -72.72 -19.51 61.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.858 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -83.95 -44.15 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 95' ' ' LYS . 16.4 m-30 -65.67 -10.36 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.65 -25.79 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -96.4 -10.66 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.444 HD12 ' CD1' ' A' ' 65' ' ' PHE . 2.3 mt -78.08 -43.22 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.76 -18.21 61.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -40.96 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 67' ' ' PHE . 96.4 mt -47.28 157.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -68.66 -33.36 73.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 174.06 110.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tp -105.29 129.07 53.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' HD11 ' A' ' 94' ' ' ILE . 68.8 m -136.83 178.58 6.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.443 ' O ' HD13 ' A' ' 77' ' ' LEU . 2.9 t -156.35 147.61 22.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.3 mm? -117.03 131.16 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 32' ' ' VAL . 73.2 t -118.68 123.43 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -84.44 112.82 20.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 80' ' ' ARG . 5.6 ptp180 -113.5 115.95 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.71 -20.03 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.35 -47.64 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.3 p -118.88 -7.34 10.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.3 mm-40 59.43 64.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -164.38 161.0 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.543 ' HD2' HD12 ' A' ' 77' ' ' LEU . 41.0 p90 -105.24 113.75 27.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.48 113.4 41.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.99 107.94 2.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.776 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 26.4 m-85 -97.62 160.38 14.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.61 172.14 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -63.02 -26.57 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -73.89 -15.24 61.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.776 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 19.9 t90 -93.75 -21.71 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 98' ' ' ILE . 44.4 mt -83.7 -53.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 10.9 ptpt -53.83 -19.6 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.913 ' O ' HG23 ' A' ' 100' ' ' VAL . 31.8 mm-40 -80.84 -46.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -64.87 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.982 HD11 ' HB2' ' A' ' 40' ' ' CYS . 13.4 tt -39.16 -55.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD2' HG21 ' A' ' 61' ' ' ILE . 1.8 t80 -48.56 -46.59 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 96' ' ' GLU . 16.7 t -70.24 -36.22 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.559 HD13 ' CB ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -54.43 -29.1 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.79 -31.97 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 6.2 mmm180 -57.54 -55.15 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -69.55 -48.34 60.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.636 ' OG1' HG22 ' A' ' 32' ' ' VAL . 6.6 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 110.419 -0.215 . . . . 0.0 110.419 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.866 HG22 ' CD1' ' A' ' 14' ' ' LEU . 22.9 mt -112.07 128.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.729 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -119.45 123.81 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.979 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -131.29 -177.75 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.8 HG22 HD11 ' A' ' 74' ' ' LEU . 1.4 t -152.72 140.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.742 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 38.7 tp60 -141.03 95.38 7.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.01 -47.96 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 37.5 p -113.88 -149.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -33.83 6.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -64.05 153.7 84.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.99 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 98.13 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.81 33.45 1.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 4.5 ppt_? -135.96 152.37 50.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -169.94 161.51 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.979 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.6 m-85 -119.49 173.0 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.24 174.45 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.66 120.73 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -115.27 173.17 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -77.14 -35.58 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.4 156.55 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.636 HG22 ' OG1' ' A' ' 11' ' ' THR . 6.3 t -67.05 -46.59 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.484 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -50.08 -43.34 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.8 mm-40 -53.25 -43.15 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.3 m -55.29 -56.13 23.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.429 ' HG2' ' N ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -45.27 -50.88 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.98 -49.51 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.33 -27.27 46.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.573 HG13 ' CE ' ' A' ' 42' ' ' MET . 48.1 t -76.69 -70.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' HD22 ' A' ' 64' ' ' LEU . 43.2 t -40.52 -49.96 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.2 mmtp -39.04 -50.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.573 ' CE ' HG13 ' A' ' 39' ' ' VAL . 49.3 mtm -34.4 -71.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.656 ' HB2' HD13 ' A' ' 64' ' ' LEU . 8.8 t80 -50.52 -53.63 28.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.29 -43.36 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -48.14 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 8.1 t60 -67.62 -19.98 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.609 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.72 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.0 mp -86.12 -51.43 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG2' HD11 ' A' ' 57' ' ' ILE . 21.9 mttt -40.04 -57.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -48.86 -39.37 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 mmm -79.38 -36.77 38.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -123.69 97.14 42.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.2 p30 -41.56 -29.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 27.0 p -37.53 102.66 0.24 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -121.07 -3.75 9.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 62.13 166.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.505 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.6 133.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.72 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 3.1 p90 -160.46 -52.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 1.7 m-20 156.69 162.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -91.02 -39.77 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -49.27 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.24 -39.24 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.656 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -64.64 -49.63 70.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.6 m-30 -54.47 -22.75 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -57.34 -28.16 62.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.21 -30.33 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 71' ' ' LEU . 14.8 mt -58.36 -35.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -48.02 68.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -42.99 -41.24 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 74' ' ' LEU . 12.3 mt -53.34 171.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.742 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -79.8 -46.16 17.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.2 t70 178.19 120.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 tp -98.04 142.38 29.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -145.29 177.12 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.594 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.5 p -158.25 163.97 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.515 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.3 mm? -123.13 116.49 23.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.1 t -106.08 127.21 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.598 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 14.3 t80 -80.51 144.42 32.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CZ ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -142.78 81.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.598 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -44.45 -29.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -42.41 -43.2 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.5 ' OG1' ' CZ ' ' A' ' 80' ' ' ARG . 80.8 p -125.22 0.57 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 52.08 74.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -165.32 175.37 9.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 26.2 p90 -118.6 116.43 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.515 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -92.14 113.68 59.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 16.0 m-30 -100.34 178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.15 -169.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.9 OUTLIER -82.81 -33.72 27.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.13 -34.43 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.603 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 56.8 t90 -70.89 -31.36 67.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.058 ' O ' HG22 ' A' ' 98' ' ' ILE . 10.8 mt -77.87 -53.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HG2' HD13 ' A' ' 68' ' ' ILE . 38.1 mtmt -40.28 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.65 ' O ' HG12 ' A' ' 100' ' ' VAL . 5.7 mm-40 -78.77 -63.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.603 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -45.19 -50.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.058 HG22 ' O ' ' A' ' 94' ' ' ILE . 6.2 tt -57.3 -41.37 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.618 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -67.37 -57.42 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 96' ' ' GLU . 5.5 p -62.58 -25.11 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.9 OUTLIER -56.95 -35.13 68.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -85.56 -33.65 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 4.3 mmm180 -55.9 -43.28 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 4.5 ptm180 -76.54 -48.07 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 3.2 mt-30 . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.446 HG22 ' SG ' ' A' ' 35' ' ' CYS . 96.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.391 -0.226 . . . . 0.0 110.391 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.867 HG22 ' CD1' ' A' ' 14' ' ' LEU . 28.7 mt -130.44 128.81 64.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.5 tm? -119.32 127.94 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.867 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -131.42 -179.61 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.804 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.4 t -156.35 131.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.649 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 34.9 tp60 -134.69 95.17 16.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.747 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 70.7 p -113.64 -141.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -38.79 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -46.82 146.76 2.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.48 37.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.96 33.83 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -136.9 116.2 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -142.05 144.86 33.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.827 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.6 m-85 -112.74 152.87 28.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -132.27 175.81 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -142.15 145.04 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 69.1 m-85 -134.75 -178.4 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.78 -30.13 12.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 161.03 34.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' CE ' ' A' ' 36' ' ' MET . 2.2 t -66.47 -46.1 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 24.8 m-20 -49.72 -49.21 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.69 -36.94 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.548 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 4.9 t -58.86 -54.03 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.254 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 1.015 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.6 tpp -66.01 -41.29 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.3 tt0 -37.27 -58.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 41' ' ' LYS . . . -37.47 -57.49 1.47 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.0 t -41.58 -61.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 t -44.12 -48.01 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.2 mttt -48.72 -57.86 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.804 ' SD ' HG21 ' A' ' 15' ' ' VAL . 35.4 mtm -34.76 -66.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CB ' HD13 ' A' ' 64' ' ' LEU . 68.8 t80 -54.96 -55.5 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.0 mt-10 -40.98 -46.27 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' LEU . 4.6 mm-40 -47.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -46.49 -25.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.669 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.8 mp -83.71 -47.18 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -38.82 -60.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.57 57.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -71.03 -40.67 71.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.417 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 3.1 m-80 -117.6 103.7 50.5 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -53.51 -35.57 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.5 OUTLIER -40.45 100.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.66 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -125.43 1.11 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.59 167.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -173.92 132.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -170.59 -169.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 69.6 m-20 -79.63 112.44 16.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 99' ' ' TYR . 1.1 tt -45.64 -32.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -46.71 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 1.5 tp60 -53.22 -32.27 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -62.94 -39.06 93.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.609 ' HA ' HD12 ' A' ' 68' ' ' ILE . 16.3 m-30 -67.3 -27.57 67.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.45 -22.24 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.93 -29.01 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 65' ' ' PHE . 5.9 mt -64.47 -42.88 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.21 86.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.32 -44.31 68.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 96.5 mt -46.8 159.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -71.34 -28.44 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 t0 164.97 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 75' ' ' SER . 11.0 tp -100.49 143.7 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.433 ' H ' HD12 ' A' ' 74' ' ' LEU . 1.4 m -144.45 179.3 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 3.3 p -157.71 160.97 38.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.562 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.4 mm? -125.41 115.9 21.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.474 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 70.5 t -98.14 124.23 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -90.27 115.39 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLN . 11.3 ptm180 -112.96 120.6 41.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.07 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.94 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -40.88 -51.33 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -122.91 -1.68 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.6 mm-40 55.82 68.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.5 t -155.89 160.93 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.562 ' HD2' HD12 ' A' ' 77' ' ' LEU . 34.3 p90 -106.39 119.67 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.614 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 3.2 mm100 -97.54 115.97 65.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.452 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.0 m-30 -98.79 -179.62 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -107.53 163.93 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.878 ' HA ' HD12 ' A' ' 94' ' ' ILE . 1.1 pttt -52.82 -35.95 57.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.44 -39.04 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CE3' ' SG ' ' A' ' 76' ' ' CYS . 31.9 t90 -70.9 -26.66 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 1.074 ' O ' HG22 ' A' ' 98' ' ' ILE . 29.5 mt -79.93 -56.14 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.5 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 36.6 mtmt -40.16 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 100' ' ' VAL . 6.1 mm-40 -76.05 -65.13 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -46.75 -55.03 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 1.074 HG22 ' O ' ' A' ' 94' ' ' ILE . 6.9 tt -50.41 -44.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.627 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.88 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.627 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -58.1 -24.07 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.0 OUTLIER -62.29 -37.72 86.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -81.6 -32.29 32.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -56.2 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -61.76 -45.71 92.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.0 m . . . . . 0 N--CA 1.452 -0.326 0 N-CA-C 110.393 -0.225 . . . . 0.0 110.393 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.748 HG22 ' CD1' ' A' ' 14' ' ' LEU . 44.6 mt -111.27 126.88 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.595 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -120.31 126.28 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.764 HD22 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -126.54 -178.38 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.7 130.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.676 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 38.9 tp60 -134.12 95.29 16.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.601 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.96 -49.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 61.9 p -112.84 -151.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.34 -40.37 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -57.45 153.88 26.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.475 ' CA ' ' HD3' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -7.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 89.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.42 34.99 1.04 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HD3' ' CA ' ' A' ' 21' ' ' PRO . 23.2 ptt85 -112.19 134.44 53.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -163.54 158.66 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -134.58 163.98 28.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -134.64 170.6 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -133.23 134.81 44.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 79.7 m-85 -130.22 178.0 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.92 -44.02 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.68 159.65 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.71 -50.58 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.641 ' HB3' HD13 ' A' ' 101' ' ' LEU . 46.0 m-20 -51.05 -50.76 58.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -48.66 -36.44 16.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 1.6 t -72.13 -38.11 69.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.897 ' SD ' HG23 ' A' ' 94' ' ' ILE . 16.3 mmt -61.15 -49.71 76.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.1 mt-10 -37.69 -65.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -36.24 -57.54 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 94' ' ' ILE . 98.1 t -42.49 -46.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 98' ' ' ILE . 8.5 t -70.61 -38.53 73.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' GLY . 19.0 mttm -53.37 -51.15 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -36.56 -63.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.623 ' HB2' HD13 ' A' ' 64' ' ' LEU . 39.7 t80 -61.52 -45.95 92.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 3.4 mt-10 -42.66 -41.0 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.91 -62.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.9 mp -84.81 -49.17 8.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.71 -62.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -40.6 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -72.29 -40.87 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 54' ' ' SER . 1.2 m-80 -122.22 101.68 40.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -60.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -46.72 -31.46 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.1 p -40.63 101.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.0 m -123.68 -1.47 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 66.44 167.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.34 128.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.9 p90 -172.57 177.99 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 164.61 14.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.884 HD11 HD12 ' A' ' 102' ' ' LEU . 1.5 mt -91.5 -46.37 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -53.13 -31.58 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -40.28 96.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -76.92 -46.38 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.701 ' CE2' ' CG2' ' A' ' 61' ' ' ILE . 14.2 m-30 -59.01 -24.52 62.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -24.36 67.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.93 -18.68 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.469 HD13 ' HG2' ' A' ' 95' ' ' LYS . 21.5 mt -67.76 -49.04 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.4 -30.71 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.6 -39.86 85.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.0 mt -49.0 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.676 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -86.06 -31.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 t70 168.64 107.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 tp -102.03 137.67 40.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -148.32 179.57 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' A' ' 94' ' ' ILE . 6.7 p -154.27 160.94 42.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 76' ' ' CYS . 2.6 mm? -122.65 125.54 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.476 HG21 ' CH2' ' A' ' 93' ' ' TRP . 20.7 t -103.77 132.02 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.62 113.25 25.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -109.71 112.57 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.67 -18.46 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -49.71 -52.77 28.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.8 p -128.0 15.16 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 39.46 61.42 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.4 t -135.85 -160.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.431 ' HD2' HD12 ' A' ' 77' ' ' LEU . 15.8 p90 -134.36 133.9 41.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -105.36 111.84 64.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.39 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 73.4 m-85 -107.97 147.16 31.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.55 168.09 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.775 ' HA ' HD12 ' A' ' 94' ' ' ILE . 7.0 ptmt -60.76 -34.87 75.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -49.26 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.599 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 75.2 t90 -52.05 -42.32 63.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.906 ' O ' HG22 ' A' ' 98' ' ' ILE . 6.8 mt -68.15 -54.44 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.473 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 32.5 mtmt -37.87 -32.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 94' ' ' ILE . 39.8 mm-40 -78.33 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.599 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -50.18 -51.41 44.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.906 HG22 ' O ' ' A' ' 94' ' ' ILE . 14.1 tt -55.27 -48.94 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.8 t80 -60.21 -50.45 73.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.98 -11.67 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -82.92 -23.94 33.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.884 HD12 HD11 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -88.4 -51.12 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 11.4 mmm180 -35.57 -42.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 7.7 ptm180 -78.27 -44.35 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.9 mm-40 . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.39 -0.226 . . . . 0.0 110.39 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.825 HG22 ' CD1' ' A' ' 14' ' ' LEU . 65.5 mt -123.15 119.24 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -119.24 123.64 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.923 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.46 -170.84 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.4 t -157.12 123.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.859 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 24.6 tp60 -124.74 95.8 41.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.98 -47.75 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -119.79 -140.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -37.88 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -51.68 153.86 3.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.97 -8.05 19.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.83 84.03 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.66 -42.89 1.08 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 21' ' ' PRO . 10.7 mtt180 -41.94 109.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 t -143.06 143.82 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.923 ' CD2' HD12 ' A' ' 14' ' ' LEU . 8.7 m-85 -119.05 168.49 10.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.5 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.81 121.58 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 28.7 m-85 -121.02 -178.45 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.2 -21.38 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.06 179.24 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.52 -47.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -52.61 -38.98 61.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.36 -41.57 97.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 3.6 m -61.12 -44.77 96.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.935 ' SD ' HG23 ' A' ' 94' ' ' ILE . 15.5 mmt -50.64 -50.36 54.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -37.3 -59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.81 -39.85 1.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' MET . 50.0 t -65.97 -47.55 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.575 ' HB2' HD11 ' A' ' 98' ' ' ILE . 6.9 t -66.26 -34.76 78.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . 24.3 mmtt -57.34 -52.1 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -37.57 -66.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.783 ' HB2' HD13 ' A' ' 64' ' ' LEU . 11.9 t80 -53.03 -49.94 65.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -45.58 -48.44 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.36 -66.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -52.58 -20.49 3.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.1 mp -81.48 -49.86 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.21 -61.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -41.36 49.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.83 -42.08 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 2.3 m-80 -114.99 97.66 48.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -63.52 -32.61 74.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -42.0 103.49 0.31 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m -120.97 0.9 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.22 168.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.52 133.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.7 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 31.1 p90 -174.91 157.22 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.64 154.75 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 102' ' ' LEU . 1.8 mt -72.49 -46.92 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.1 p -52.82 -26.77 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -42.69 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -71.25 -36.72 71.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 61' ' ' ILE . 14.6 m-30 -73.78 -23.74 59.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.29 -21.56 66.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -19.7 19.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.488 HD12 ' CD1' ' A' ' 65' ' ' PHE . 22.9 mt -66.18 -32.65 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.79 -18.8 58.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.37 161.59 30.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.859 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -70.46 -40.36 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t70 177.57 104.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.94 127.39 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 m -139.43 178.76 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.508 ' SG ' ' CZ3' ' A' ' 93' ' ' TRP . 22.9 p -155.56 145.78 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -114.63 134.48 55.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.75 138.77 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.4 129.67 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 7.9 ptm180 -124.09 104.55 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.95 -19.8 33.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -47.66 -56.19 7.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -120.74 0.04 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mt-30 57.33 79.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.1 t -168.26 168.86 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.602 ' HD2' HD12 ' A' ' 77' ' ' LEU . 36.6 p90 -105.09 113.57 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 4.3 tm0? -84.67 113.22 47.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.499 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 49.6 m-85 -119.09 119.9 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.883 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.85 -40.28 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -50.52 -32.98 19.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.564 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 80.5 t90 -70.11 -43.87 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.935 HG23 ' SD ' ' A' ' 36' ' ' MET . 15.5 mt -61.89 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 34.3 mtmt -37.06 -38.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.816 ' O ' HG23 ' A' ' 100' ' ' VAL . 36.8 mm-40 -69.41 -53.11 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.564 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -58.34 -62.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 94' ' ' ILE . 15.0 tt -42.83 -50.96 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 103' ' ' ARG . 2.7 t80 -56.69 -49.22 75.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 96' ' ' GLU . 48.0 t -67.65 -12.76 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 36' ' ' MET . 0.1 OUTLIER -83.92 -23.77 31.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -88.14 -51.13 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 15.3 mmm180 -34.08 -46.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 ptm180 -74.22 -46.62 40.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.6 mt-30 . . . . . 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.6 m . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.444 -0.206 . . . . 0.0 110.444 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.876 HG22 HD11 ' A' ' 14' ' ' LEU . 14.5 mt -121.62 126.02 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.91 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.9 tm? -121.44 127.44 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -128.31 -172.31 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.628 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -158.74 122.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 40.5 tp60 -125.21 96.33 39.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.747 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.03 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 66.1 p -108.99 -147.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -29.34 8.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -64.34 148.79 95.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 18.2 Cg_endo -75.05 -9.12 20.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.09 95.89 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.25 -8.75 5.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 21' ' ' PRO . 18.0 ptt180 -79.59 133.93 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 14.7 t -147.47 153.71 39.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.585 ' HD1' HD12 ' A' ' 14' ' ' LEU . 11.0 m-85 -126.5 148.03 49.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.61 176.57 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.97 117.41 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -119.5 -179.75 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.11 -32.97 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 164.98 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.72 -45.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.3 p-10 -49.13 -37.63 22.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.406 ' SG ' HD23 ' A' ' 13' ' ' LEU . 5.7 t -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.926 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -39.47 -57.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.61 -57.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.71 -34.78 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 94' ' ' ILE . 73.8 t -80.53 -66.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 2.6 t -41.62 -47.25 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' MET . 16.7 mmmt -43.9 -52.89 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.628 ' SD ' HG21 ' A' ' 15' ' ' VAL . 32.0 mtm -34.28 -69.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.803 ' HB2' HD13 ' A' ' 64' ' ' LEU . 17.3 t80 -53.72 -47.46 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.17 -43.82 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.26 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -49.83 -22.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.587 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.2 mp -83.69 -47.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.59 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -41.46 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.67 -32.48 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -132.16 101.07 15.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -60.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -46.94 -31.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.7 p -41.2 101.59 0.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -124.18 -0.89 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.61 167.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -170.42 135.03 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 9.0 p90 -172.2 -174.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 61.8 m-20 -79.8 133.87 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -67.46 -23.32 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.37 -32.8 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 14.0 tp60 -73.06 -23.54 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.961 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.06 -42.0 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' A' ' 68' ' ' ILE . 13.0 m-30 -66.1 -18.66 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.85 -19.23 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -34.29 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 65' ' ' PHE . 33.8 mt -52.5 -39.86 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.43 -42.95 82.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -43.57 -37.09 2.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -54.83 161.47 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -76.93 -30.6 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.16 104.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 3.7 tp -98.42 142.15 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -147.39 178.93 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.695 ' O ' HD13 ' A' ' 77' ' ' LEU . 4.7 p -156.13 166.91 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.695 HD13 ' O ' ' A' ' 76' ' ' CYS . 1.8 mm? -128.16 134.95 49.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.0 t -113.4 123.89 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.512 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 5.6 t80 -88.94 118.34 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -116.92 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -46.09 -27.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 -39.44 58.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.7 p -124.84 5.73 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER 40.01 76.19 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -167.43 164.73 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.624 ' HD2' HD12 ' A' ' 77' ' ' LEU . 18.0 p90 -109.99 132.77 53.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.594 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.9 mm100 -106.58 112.82 63.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.629 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.02 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 79.4 m-85 -107.51 126.1 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -61.32 176.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.876 ' HA ' HD12 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -67.39 -39.92 85.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -49.44 -28.01 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.59 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 60.8 t90 -75.96 -57.24 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 107.982 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.995 ' O ' HG22 ' A' ' 98' ' ' ILE . 5.4 mt -49.97 -39.89 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.4 mtmt -56.03 -38.59 70.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -74.3 -12.46 60.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -99.11 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.995 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.6 tt -39.4 -47.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.616 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -54.18 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.616 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 3.3 p -62.38 -34.8 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 36' ' ' MET . 1.0 OUTLIER -51.57 -44.58 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.995 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -73.76 -41.38 62.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -55.6 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.4 ptt180 -65.91 -38.96 90.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.428 HG21 ' HB2' ' A' ' 35' ' ' CYS . 7.0 m . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.424 -0.213 . . . . 0.0 110.424 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 14' ' ' LEU . 13.5 mt -108.25 123.18 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.81 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -119.14 123.23 43.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.975 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -124.36 175.64 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 74' ' ' LEU . 1.2 t -147.86 128.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.806 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 35.0 tp60 -127.04 97.67 31.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.2 Cg_endo -74.97 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 72.3 p -121.44 -141.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -37.71 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -57.85 149.95 51.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.02 -13.89 21.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 pt-20 -72.84 86.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 -19.31 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -74.21 125.12 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -147.9 141.5 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.975 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.2 m-85 -108.25 164.27 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -135.81 177.24 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.25 137.4 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 99.7 m-85 -146.4 174.55 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -114.72 -37.34 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.41 135.04 42.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.602 HG12 ' SD ' ' A' ' 36' ' ' MET . 41.3 t -52.4 -40.27 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.57 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 66.6 mm-40 -38.37 -46.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 11' ' ' THR . 39.8 t -57.2 -54.86 42.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.859 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -50.52 -60.56 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -38.58 -60.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.41 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.454 HG21 HG21 ' A' ' 94' ' ' ILE . 41.9 t -68.78 -58.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.7 t -47.77 -44.96 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -46.88 -53.53 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.656 ' SD ' HG21 ' A' ' 15' ' ' VAL . 17.4 mtm -34.71 -72.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.778 ' HB2' HD13 ' A' ' 64' ' ' LEU . 29.9 t80 -50.6 -46.15 57.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.1 -46.82 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.76 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -49.39 -23.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.695 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.4 mp -82.48 -48.38 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.33 -61.81 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -41.76 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.43 -42.06 75.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -117.02 103.07 52.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -54.11 -36.31 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.78 99.67 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -123.59 0.47 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.43 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.539 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.09 130.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.695 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.5 p90 -171.26 177.84 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.68 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 1.009 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -61.86 -40.43 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -21.56 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -88.35 -44.56 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.778 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -49.6 -49.06 48.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -64.54 -28.0 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -25.11 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -90.17 -28.92 18.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 71' ' ' LEU . 18.2 mt -60.87 -36.26 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -69.45 -40.09 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.11 -39.32 63.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.741 HD13 HD13 ' A' ' 74' ' ' LEU . 31.4 mt -53.29 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -77.06 -39.55 49.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.6 t70 173.27 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.741 HD13 HD13 ' A' ' 71' ' ' LEU . 4.8 tp -104.74 132.18 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.574 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -142.12 170.73 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.645 ' C ' HD22 ' A' ' 77' ' ' LEU . 7.5 p -158.36 162.88 37.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 76' ' ' CYS . 2.5 mm? -130.64 139.01 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.85 130.9 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -95.84 118.16 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLN . 1.4 ptp180 -117.98 116.42 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -11.11 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -48.46 80.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.9 p -118.61 -3.67 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.9 mm-40 53.75 61.35 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -153.9 165.32 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.607 ' HD2' HD12 ' A' ' 77' ' ' LEU . 33.6 p90 -104.57 113.48 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.622 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.58 113.54 49.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.623 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 75.2 m-85 -130.08 132.22 46.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.69 175.34 2.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.3 OUTLIER -61.46 -40.81 95.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -47.89 50.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.609 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 57.9 t90 -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.043 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.638 ' O ' HG22 ' A' ' 98' ' ' ILE . 4.1 mt -66.94 -53.95 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 94' ' ' ILE . 26.4 mtmt -39.23 -33.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 100' ' ' VAL . 5.2 mm-40 -79.87 -55.66 4.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -50.97 -58.97 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.648 ' O ' HD22 ' A' ' 102' ' ' LEU . 19.4 tt -39.17 -58.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.529 ' N ' HG23 ' A' ' 98' ' ' ILE . 6.5 t80 -53.32 -51.45 62.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 96' ' ' GLU . 67.2 t -61.45 -24.28 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 36' ' ' MET . 0.0 OUTLIER -74.34 -31.95 62.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -78.78 -33.33 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 17.1 mmm180 -53.96 -52.82 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.4 ptm180 -69.61 -48.07 61.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . 0.428 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.3 mt-30 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.422 -0.214 . . . . 0.0 110.422 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.835 HG22 ' CD1' ' A' ' 14' ' ' LEU . 26.4 mt -97.9 124.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.705 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -121.16 124.1 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.835 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -132.06 -173.7 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.587 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.7 t -156.3 142.47 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 23.6 tp60 -143.94 95.02 5.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.806 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.94 -49.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 73.2 p -109.71 -142.33 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -131.48 33.49 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -111.28 148.43 38.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.98 21.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -86.12 -8.57 57.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.13 63.34 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.32 101.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -123.57 148.81 46.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.812 ' CD2' HD12 ' A' ' 14' ' ' LEU . 3.8 m-85 -109.84 164.98 12.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.06 177.29 9.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.2 135.49 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -125.84 173.47 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -82.47 -56.72 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.14 160.81 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.31 -48.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.483 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 36.7 m-20 -48.04 -44.31 31.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -60.47 -42.78 96.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.88 -35.8 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' HG23 ' A' ' 94' ' ' ILE . 15.9 mmt -67.63 -48.6 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -38.2 -69.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.49 -58.43 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.7 t -45.29 -49.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLU . 44.3 t -61.38 -42.37 98.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' MET . 12.5 mttt -50.42 -51.25 48.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' HG21 ' A' ' 15' ' ' VAL . 22.2 mtm -35.11 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.648 ' CB ' HD13 ' A' ' 64' ' ' LEU . 41.1 t80 -52.9 -45.0 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.21 -44.83 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.58 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -53.21 -20.44 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -38.68 -61.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -39.68 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -73.34 -41.91 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -113.69 107.46 52.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -75.01 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -38.65 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -36.62 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -75.02 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -124.89 0.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 68.11 168.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -172.34 133.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.3 p90 -169.74 -173.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 83.0 m-20 -82.5 119.87 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -45.16 -37.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -42.28 83.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 8.9 mm-40 -57.76 -36.91 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -59.08 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.542 ' HA ' HD12 ' A' ' 68' ' ' ILE . 17.9 m-30 -66.64 -20.02 65.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.4 -20.68 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -95.49 -37.4 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 65' ' ' PHE . 11.7 mt -50.52 -54.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.51 -34.76 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' PHE . 18.2 t0 -56.47 -42.28 77.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.5 mt -47.08 161.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -77.52 -35.22 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 170.04 107.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 75' ' ' SER . 9.0 tp -97.88 147.92 23.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.442 ' H ' HD12 ' A' ' 74' ' ' LEU . 2.6 m -145.76 179.02 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.596 ' O ' HD13 ' A' ' 77' ' ' LEU . 2.1 p -157.95 158.26 34.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -125.19 124.33 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CH2' ' A' ' 93' ' ' TRP . 51.6 t -111.06 132.02 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 13.5 t80 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -108.7 110.93 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.93 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -43.36 -55.27 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.464 ' OG1' HG22 ' A' ' 85' ' ' THR . 66.2 p -127.47 16.31 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 40.23 65.45 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.464 HG22 ' OG1' ' A' ' 83' ' ' THR . 3.7 t -143.95 167.55 22.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.633 ' HD2' HD12 ' A' ' 77' ' ' LEU . 29.0 p90 -105.24 118.9 37.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.4 mm100 -93.03 112.25 55.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.471 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 69.8 m-85 -110.94 133.3 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.758 ' HA ' HD12 ' A' ' 94' ' ' ILE . 6.3 ptmt -88.18 -31.46 19.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 1.3 t0 -60.78 -26.61 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.606 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 82.4 t90 -75.52 -32.84 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 91' ' ' LYS . 30.0 mt -72.05 -56.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.8 mtmt -38.42 -36.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.612 ' O ' HG12 ' A' ' 100' ' ' VAL . 8.5 mm-40 -66.03 -62.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -48.3 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.991 ' O ' HD22 ' A' ' 102' ' ' LEU . 10.6 tt -39.1 -47.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.619 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -62.87 -67.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.619 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -54.54 -19.91 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -69.75 -40.24 76.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -77.14 -30.51 55.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -66.1 -47.46 74.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -35.95 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 . . . . . 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.989 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . 0.569 ' OG1' HG22 ' A' ' 32' ' ' VAL . 1.8 m . . . . . 0 N--CA 1.453 -0.287 0 N-CA-C 110.408 -0.219 . . . . 0.0 110.408 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.817 HG22 ' CD1' ' A' ' 14' ' ' LEU . 25.9 mt -98.1 122.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.848 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.1 tm? -119.69 125.61 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . 0.982 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.17 -169.98 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.7 t -158.47 124.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.8 87.28 56.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HB3' HD23 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.97 -37.42 2.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.2 p -146.6 161.44 40.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -31.96 71.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 151.57 68.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -8.58 20.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.94 85.23 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.57 39.36 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -122.0 130.94 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t -173.21 153.75 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.982 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.0 m-85 -116.13 175.6 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.53 171.75 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -152.02 133.25 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.6 -20.25 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -179.85 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' VAL . . . . . 0.569 HG22 ' OG1' ' A' ' 11' ' ' THR . 2.6 t -91.86 -46.43 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.6 p-10 -51.68 -35.36 42.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.4 -37.72 87.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.27 -45.15 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' MET . . . . . 0.796 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.8 mmt -55.35 -53.12 60.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.7 tt0 -38.39 -52.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.447 ' HA2' ' CD ' ' A' ' 41' ' ' LYS . . . -50.22 -42.07 40.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.541 HG22 HD21 ' A' ' 74' ' ' LEU . 75.5 t -59.45 -27.14 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -90.48 -20.31 22.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . 0.447 ' CD ' ' HA2' ' A' ' 38' ' ' GLY . 14.4 mttm -64.71 -69.87 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 39' ' ' VAL . 5.7 ptp -35.79 -33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.619 ' CG ' HD13 ' A' ' 64' ' ' LEU . 58.4 t80 -77.93 -61.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.17 -33.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.85 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -46.5 -25.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.3 mp -84.28 -48.13 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.85 -61.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -42.57 31.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -72.28 -31.89 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.9 m-80 -131.53 102.71 15.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -61.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' SER . 27.9 m-80 -45.82 -34.04 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 25.9 p -38.38 99.13 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -74.96 -44.46 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -123.97 -1.47 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.38 167.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -171.94 136.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 5.3 p90 -167.57 -170.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -90.13 132.11 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.71 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -56.47 -34.6 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -68.34 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -81.63 -58.13 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.852 HD21 HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -45.56 -47.8 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.407 ' CD1' HD12 ' A' ' 68' ' ' ILE . 14.9 m-30 -65.82 -30.62 71.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' GLN . 1.4 t0 -51.86 -23.85 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -94.32 -38.89 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 4.5 mt -45.1 -41.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.69 -41.62 82.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' PHE . 22.0 t70 -47.38 -45.6 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 17' ' ' PRO . 52.6 mt -47.61 171.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 16' ' ' GLN . . . -84.01 -25.12 30.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER 155.99 119.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.541 HD21 HG22 ' A' ' 39' ' ' VAL . 9.5 tp -97.93 129.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . 0.477 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 1.6 m -131.02 162.98 28.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 10.5 t -151.87 151.7 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.2 mm? -118.27 138.97 52.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.47 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 7.2 t -116.34 158.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' TYR . . . . . 0.926 ' CZ ' ' HB2' ' A' ' 81' ' ' ALA . 4.3 t80 -78.62 140.05 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.728 ' H ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -146.64 55.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ALA . . . . . 0.926 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . . . -38.04 -31.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 80' ' ' ARG . 11.3 m-20 -40.23 -42.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' THR . . . . . 0.803 HG23 HG22 ' A' ' 85' ' ' THR . 0.1 OUTLIER -118.62 -22.17 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.27 53.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 83' ' ' THR . 1.7 t -131.06 -119.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' TYR . . . . . 0.576 ' H ' HG23 ' A' ' 85' ' ' THR . 4.2 p90 -161.09 128.16 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -104.4 104.46 44.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.564 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 148.89 36.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 96.5 m-85 -147.36 121.26 9.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.25 -177.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 94' ' ' ILE . 3.2 ptpp? -72.02 -37.63 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -48.03 -48.6 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 97' ' ' LYS . 77.4 t90 -56.76 -42.71 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ILE . . . . . 0.965 ' O ' HG22 ' A' ' 98' ' ' ILE . 10.2 mt -65.67 -56.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 42.1 mtmt -43.14 -39.39 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' GLU . . . . . 0.921 ' O ' HG23 ' A' ' 100' ' ' VAL . 19.0 mm-40 -66.84 -46.6 74.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -64.41 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ILE . . . . . 0.965 HG22 ' O ' ' A' ' 94' ' ' ILE . 2.6 tt -39.51 -44.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' TYR . . . . . 0.71 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.2 t80 -60.75 -47.41 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 96' ' ' GLU . 39.7 t -69.92 -28.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -57.64 -34.01 68.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.882 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.65 -29.29 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 22.2 mmm180 -60.3 -50.83 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.05 -44.13 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 15.6 mt-30 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 62.33 145.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.547 0.792 . . . . 0.0 110.053 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -162.26 103.12 1.1 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.533 1.146 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -88.05 -124.41 2.11 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.465 1.103 . . . . 0.0 110.991 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . 0.435 ' O ' ' HB2' ' A' ' 6' ' ' ALA . . . -160.08 153.9 22.86 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 0.751 . . . . 0.0 109.324 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . 0.435 ' HB2' ' O ' ' A' ' 5' ' ' ALA . . . 178.88 125.52 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 109.299 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 85.6 m -113.64 142.22 46.26 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.412 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -132.59 -176.78 4.21 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.515 1.134 . . . . 0.0 111.043 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 14.1 p -108.77 174.29 5.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.991 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -114.84 100.26 8.09 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 109.585 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 35.9 m -95.49 156.66 16.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.437 1.086 . . . . 0.0 110.382 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.831 HG22 ' CD1' ' A' ' 14' ' ' LEU . 12.6 mt -125.97 132.8 70.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.864 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.9 OUTLIER -119.2 125.13 48.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.045 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -129.79 163.22 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.769 HG22 HD11 ' A' ' 74' ' ' LEU . 2.0 t -139.97 130.52 30.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.702 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 40.5 tp60 -131.97 95.62 21.83 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 0.0 110.249 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.502 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.5 Cg_endo -74.92 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.532 1.806 . . . . 0.0 111.028 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.452 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 39.5 p -116.33 -145.95 0.4 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.397 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.25 -27.91 8.48 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 109.35 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.1 mmt180 -58.63 152.21 47.64 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.326 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -28.89 8.83 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.98 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -78.49 99.44 6.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 143.01 -28.65 2.11 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.514 1.134 . . . . 0.0 110.966 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 36.3 ptt85 -87.66 131.33 34.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 0.773 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.407 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 5.7 t -141.5 152.21 43.97 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 0.0 110.4 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 1.045 ' CD2' HD12 ' A' ' 14' ' ' LEU . 5.7 m-85 -115.04 154.92 27.96 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.105 . . . . 0.0 111.002 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.431 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -131.51 177.45 7.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.563 1.165 . . . . 0.0 109.344 179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 -137.32 141.04 41.87 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.451 1.094 . . . . 0.0 109.339 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.459 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 95.6 m-85 -143.55 176.34 9.27 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -100.12 -52.47 3.39 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.435 1.084 . . . . 0.0 110.272 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 48.1 m -100.3 163.86 12.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 0.0 109.993 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.401 HG13 ' CE ' ' A' ' 36' ' ' MET . 3.2 t -70.45 -47.74 63.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 0.0 109.291 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.549 ' O ' HD13 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -48.2 -54.25 14.11 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.425 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 56.6 mm-40 -49.53 -54.3 18.71 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.485 1.116 . . . . 0.0 110.31 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.459 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 3.3 t -42.81 -57.73 2.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 0.0 108.296 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.761 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.0 mpp? -56.65 -37.74 71.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 0.0 110.977 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -44.89 -45.83 10.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -56.94 -28.56 58.03 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.496 1.123 . . . . 0.0 110.979 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.538 HG13 ' CE ' ' A' ' 42' ' ' MET . 47.5 t -74.01 -66.17 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 0.76 . . . . 0.0 109.281 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 11.6 t -41.8 -49.84 4.37 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 108.313 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.6 mmtp -41.43 -53.03 3.48 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.538 ' CE ' HG13 ' A' ' 39' ' ' VAL . 40.8 mtm -35.44 -48.06 0.47 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 111.011 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.751 ' HB2' HD13 ' A' ' 64' ' ' LEU . 9.6 t80 -74.06 -53.28 10.31 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.121 . . . . 0.0 111.07 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.4 mt-10 -43.02 -62.78 0.94 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.121 . . . . 0.0 110.352 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.33 -40.38 48.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.113 . . . . 0.0 110.348 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.405 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 6.7 t60 -69.53 -20.92 63.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.618 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.712 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.3 mp -86.66 -45.25 11.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.463 1.102 . . . . 0.0 109.282 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.445 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.01 -64.38 0.36 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 0.0 109.311 -180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.405 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -45.29 -42.51 9.75 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.136 . . . . 0.0 110.319 179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 47' ' ' LEU . 39.2 mtp -73.13 -34.74 66.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.3 m-80 -122.56 100.59 41.13 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -56.17 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.546 1.814 . . . . 0.0 110.988 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' O ' ' N ' ' A' ' 55' ' ' PRO . 34.7 m-80 -56.03 -35.24 66.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.419 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -38.5 98.93 0.18 Allowed Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.125 . . . . 0.0 110.035 -179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.41 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.96 -42.04 0.58 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.488 1.783 . . . . 0.0 110.997 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 73.6 m -122.35 -0.25 9.35 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.14 167.92 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.43 133.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.428 179.995 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.712 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 27.8 p90 -173.08 177.29 2.78 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 110.981 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -72.69 130.75 41.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 109.301 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.813 HD11 HD23 ' A' ' 102' ' ' LEU . 1.4 tt -63.66 -24.82 36.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -81.71 -36.52 28.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 0.0 110.019 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 tp60 -65.1 -21.25 66.78 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.496 1.122 . . . . 0.0 110.305 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.751 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -75.41 -38.05 60.08 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.429 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.7 m-30 -71.07 -16.46 62.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -61.7 -17.77 56.95 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.512 1.132 . . . . 0.0 109.235 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -96.62 -19.85 18.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 110.978 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.776 ' HA ' HD12 ' A' ' 71' ' ' LEU . 11.0 mt -71.11 -31.52 44.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.0 t0 -69.2 -48.43 62.07 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.474 1.109 . . . . 0.0 109.321 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t0 -44.04 -40.01 4.54 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.515 1.134 . . . . 0.0 109.301 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 1.061 HD13 HD13 ' A' ' 74' ' ' LEU . 11.8 mt -54.15 172.28 0.09 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.474 1.109 . . . . 0.0 109.329 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.702 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -81.64 -42.31 20.18 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.302 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 32.8 t70 177.64 120.77 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 109.276 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.061 HD13 HD13 ' A' ' 71' ' ' LEU . 1.5 tp -98.64 135.91 39.47 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 0.0 109.312 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.5 m -138.76 171.12 14.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.117 . . . . 0.0 109.982 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.438 ' SG ' ' CG1' ' A' ' 94' ' ' ILE . 7.9 p -155.52 151.15 27.31 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.471 1.107 . . . . 0.0 108.281 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.578 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -115.42 119.43 36.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.3 t -107.29 123.87 62.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.506 1.129 . . . . 0.0 109.296 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.6 t80 -90.42 118.98 30.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.547 1.154 . . . . 0.0 111.005 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.405 ' C ' ' N ' ' A' ' 82' ' ' ASP . 3.0 ptt180 -108.09 104.82 14.33 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.478 1.111 . . . . 0.0 110.308 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.16 -26.31 0.75 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.285 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.405 ' N ' ' C ' ' A' ' 80' ' ' ARG . 10.2 t0 -40.74 -57.2 1.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.1 p -125.9 13.72 7.93 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.533 1.145 . . . . 0.0 110.402 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 44.02 60.58 2.68 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.519 1.137 . . . . 0.0 110.308 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 9.6 t -140.46 159.47 42.12 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.49 1.119 . . . . 0.0 110.406 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.578 ' HD2' HD12 ' A' ' 77' ' ' LEU . 25.6 p90 -105.51 124.35 49.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.536 1.148 . . . . 0.0 110.97 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.4 mm100 -102.4 117.29 61.41 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 110.27 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.441 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.02 108.93 2.83 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.487 1.782 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 20.9 m-30 -98.01 179.55 4.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -98.89 176.34 5.63 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.983 ' HA ' HD12 ' A' ' 94' ' ' ILE . 4.7 ptpt -66.19 -41.26 90.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -47.79 -47.63 30.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.535 1.147 . . . . 0.0 109.344 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.514 ' CE2' ' HE3' ' A' ' 97' ' ' LYS . 11.0 t90 -56.5 -33.35 65.92 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 107.991 -1.114 . . . . 0.0 107.991 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.983 HD12 ' HA ' ' A' ' 91' ' ' LYS . 9.2 mt -78.83 -42.13 24.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.292 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.633 ' HG2' HD13 ' A' ' 68' ' ' ILE . 32.7 mtmt -61.27 -15.22 32.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.477 1.111 . . . . 0.0 109.28 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.597 ' O ' HG23 ' A' ' 100' ' ' VAL . 5.7 mm-40 -91.72 -53.67 4.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.5 1.125 . . . . 0.0 110.244 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.514 ' HE3' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -54.82 -55.06 34.27 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 0.0 109.306 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.806 ' O ' HD22 ' A' ' 102' ' ' LEU . 18.9 tt -42.62 -58.93 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.48 1.112 . . . . 0.0 109.276 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.602 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.7 t80 -48.91 -48.15 42.84 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.489 1.118 . . . . 0.0 111.016 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 96' ' ' GLU . 25.9 t -67.75 -30.87 49.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.549 HD13 ' O ' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -63.07 -28.58 70.18 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.321 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.813 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.08 -25.08 32.37 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 109.307 -179.993 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.9 mmm180 -63.89 -57.91 8.37 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 8.6 ptm180 -67.2 -42.12 84.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 110.277 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -45.65 -34.84 3.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.349 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -72.99 -86.53 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 33.6 mm-40 -141.88 -76.73 0.28 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.477 1.11 . . . . 0.0 110.286 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 74.24 -67.54 0.25 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 110.285 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -146.75 -63.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.535 1.147 . . . . 0.0 109.308 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 81.2 72.63 1.22 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.493 1.12 . . . . 0.0 111.018 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 5.0 mtpt . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.504 0.767 . . . . 0.0 109.327 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 70.09 -64.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.518 0.775 . . . . 0.0 110.007 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -42.36 145.49 0.39 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.486 1.117 . . . . 0.0 110.306 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.88 -161.51 9.55 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.524 1.14 . . . . 0.0 111.001 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -74.19 170.61 15.19 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.481 0.754 . . . . 0.0 109.321 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -136.21 159.21 42.44 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 109.275 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 10.1 t -129.5 154.92 46.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.488 1.118 . . . . 0.0 110.366 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -77.42 162.63 27.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.534 1.146 . . . . 0.0 110.982 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.412 ' C ' ' CD2' ' A' ' 10' ' ' HIS . 86.2 p -120.75 139.72 52.69 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 0.0 109.986 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' A' ' 9' ' ' SER . 32.2 m-70 -144.85 -61.72 0.36 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.614 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.4 m -108.36 156.9 18.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.422 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.758 HG22 ' CD1' ' A' ' 14' ' ' LEU . 57.6 mt -128.34 128.79 68.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.529 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -118.93 124.06 46.15 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.758 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.24 -176.08 3.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -152.73 142.4 14.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.32 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.566 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 33.6 tp60 -141.25 96.03 7.23 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 0.0 110.309 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.648 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.04 -51.2 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.484 1.781 . . . . 0.0 111.037 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 47.5 p -115.31 -142.84 0.38 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 110.407 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 7.4 mmtt -129.07 30.9 4.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 109.328 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -113.59 149.8 42.24 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.255 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 -7.87 19.51 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.44 1.758 . . . . 0.0 110.994 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -80.1 56.39 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.552 1.157 . . . . 0.0 110.258 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 169.07 -31.0 0.16 Allowed Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.524 1.14 . . . . 0.0 110.969 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.09 96.23 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.451 0.736 . . . . 0.0 110.332 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.406 ' N ' ' O ' ' A' ' 23' ' ' GLY . 7.2 t -127.7 162.37 26.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.129 . . . . 0.0 110.351 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.506 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 2.2 m-85 -144.35 159.12 43.26 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.506 1.129 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -122.71 168.48 12.16 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -137.23 117.29 13.37 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 78.4 m-85 -125.9 -178.29 4.23 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.114 . . . . 0.0 110.956 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -105.78 -29.52 9.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.521 1.138 . . . . 0.0 110.296 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -114.58 169.77 8.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 110.031 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.6 t -88.33 -48.27 15.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.462 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.2 p-10 -52.48 -35.41 52.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.295 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -62.6 -43.79 97.93 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.334 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 9.3 m -61.29 -45.41 94.61 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.478 1.111 . . . . 0.0 108.289 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.573 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.6 mmt -50.96 -54.46 24.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 111.025 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.0 tt0 -37.49 -57.33 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 110.277 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -41.75 -46.17 4.8 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.453 1.096 . . . . 0.0 110.98 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.7 t -60.34 -63.09 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.51 0.771 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.456 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 6.0 t -49.55 -47.78 48.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 0.0 108.338 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.42 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.0 mmtp -42.67 -52.49 4.86 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.424 ' SD ' HG21 ' A' ' 15' ' ' VAL . 35.8 mtm -35.84 -46.9 0.48 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.983 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.604 ' HB2' HD13 ' A' ' 64' ' ' LEU . 2.8 t80 -75.6 -54.21 7.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.515 1.134 . . . . 0.0 111.039 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.428 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.3 mt-10 -41.47 -61.33 1.08 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.482 1.113 . . . . 0.0 110.299 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 2.5 pt-20 -51.34 -33.35 29.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 110.303 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.427 ' N ' ' O ' ' A' ' 43' ' ' TYR . 10.7 t60 -78.33 -23.22 47.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 109.623 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.706 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -84.69 -45.99 11.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.477 1.111 . . . . 0.0 109.288 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -37.47 -65.44 0.31 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.135 . . . . 0.0 109.304 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.54 -41.31 9.64 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.251 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 47' ' ' LEU . 46.1 mtp -72.55 -33.43 66.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.463 1.102 . . . . 0.0 111.034 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.445 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.2 m-80 -126.17 102.45 27.38 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.327 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -57.22 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.211 0 O-C-N 124.508 1.794 . . . . 0.0 111.016 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.41 ' H ' ' ND2' ' A' ' 53' ' ' ASN . 11.2 m-80 -52.33 -36.73 54.17 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 109.303 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -41.47 100.77 0.23 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -45.0 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.451 1.764 . . . . 0.0 110.996 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.8 t -120.63 0.1 10.36 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.471 1.107 . . . . 0.0 109.998 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.68 167.62 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.492 1.12 . . . . 0.0 109.306 179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -177.43 133.38 0.17 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.379 -179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.706 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 23.8 p90 -170.2 -177.94 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.993 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -77.5 125.96 30.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.8 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.3 OUTLIER -56.15 -30.42 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.08 -31.39 55.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.514 1.134 . . . . 0.0 109.977 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 13.0 tp60 -71.08 -22.91 62.05 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.493 1.12 . . . . 0.0 110.345 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.817 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.41 -39.12 33.21 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.977 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.464 ' CE2' ' HB3' ' A' ' 95' ' ' LYS . 14.7 m-30 -69.89 -19.37 63.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -58.22 -23.49 55.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -90.84 -28.42 18.19 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 1.133 . . . . 0.0 111.011 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.479 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 17.1 mt -58.64 -46.93 90.06 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.475 1.109 . . . . 0.0 109.299 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -57.19 -44.75 83.88 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t0 -42.03 -45.77 3.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.4 mt -47.69 157.49 0.25 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.3 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.648 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -67.07 -32.15 73.14 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.338 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 2.7 t0 163.29 111.96 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.11 . . . . 0.0 109.256 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 12.9 tp -97.88 143.16 28.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.7 m -142.85 179.47 6.99 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 110.0 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.604 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.7 p -153.63 157.67 39.98 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.526 1.141 . . . . 0.0 108.318 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.521 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.0 mm? -122.0 110.14 15.45 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.138 . . . . 0.0 109.292 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 75.3 t -97.87 133.46 39.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.557 1.16 . . . . 0.0 109.299 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.592 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 4.3 t80 -91.81 137.91 31.98 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.544 1.153 . . . . 0.0 111.045 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 5.7 ptm85 -131.1 91.89 3.11 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 110.314 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.592 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -48.92 -23.74 1.22 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.323 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -44.29 -51.97 7.94 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.471 1.107 . . . . 0.0 109.257 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.5 p -121.03 -5.07 9.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.364 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 60.66 73.82 0.47 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 15.0 t -161.81 163.57 29.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.109 . . . . 0.0 110.43 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.521 ' HD2' HD12 ' A' ' 77' ' ' LEU . 25.6 p90 -106.62 123.74 48.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.53 1.144 . . . . 0.0 111.002 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.568 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 2.9 mm100 -99.71 117.0 64.35 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.47 2.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 0.0 110.952 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 13.8 m-30 -99.92 179.94 4.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.523 1.139 . . . . 0.0 111.01 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m120 -108.29 173.4 6.34 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.809 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.1 OUTLIER -67.13 -33.52 75.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 16.0 t0 -53.54 -33.0 53.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.534 1.146 . . . . 0.0 109.297 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.638 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 35.3 t90 -76.4 -29.22 57.02 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.971 ' O ' HG22 ' A' ' 98' ' ' ILE . 21.1 mt -76.53 -51.3 19.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.108 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.474 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 46.3 mtmt -47.45 -24.22 0.78 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 109.282 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.858 ' O ' HG23 ' A' ' 100' ' ' VAL . 6.3 mm-40 -79.09 -47.11 16.73 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.51 1.131 . . . . 0.0 110.312 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.638 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -65.67 -64.3 0.89 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 109.315 179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.979 ' O ' HD22 ' A' ' 102' ' ' LEU . 3.4 tt -38.56 -45.8 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.8 ' CD2' HG21 ' A' ' 61' ' ' ILE . 3.0 t80 -60.02 -54.96 39.91 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.858 HG23 ' O ' ' A' ' 96' ' ' GLU . 21.6 t -62.36 -27.21 42.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -64.16 -30.79 71.83 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.527 1.142 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.979 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.0 -27.96 30.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 109.328 179.969 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.547 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.6 mmm180 -58.49 -57.07 14.56 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.128 . . . . 0.0 110.303 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.426 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 6.0 ptm180 -68.74 -47.69 65.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.492 1.12 . . . . 0.0 110.338 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.426 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -41.71 -40.38 1.97 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.499 1.124 . . . . 0.0 110.341 179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.36 -79.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.293 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 2.1 mm100 -142.28 -76.42 0.27 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.133 . . . . 0.0 110.323 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 74.66 -62.73 0.45 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.461 1.101 . . . . 0.0 110.262 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -175.87 -58.22 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.145 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 89.37 79.08 1.32 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.525 1.141 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.497 0.763 . . . . 0.0 109.321 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 111.053 -0.819 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.2 m -123.33 153.53 40.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 109.971 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -60.5 111.7 1.69 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 110.282 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.01 71.36 1.96 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.522 1.139 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 60.51 105.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 0.751 . . . . 0.0 109.313 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 59.71 169.93 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.122 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.6 t -55.95 146.39 22.38 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.518 1.136 . . . . 0.0 110.362 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.3 mtm -60.45 135.31 57.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 111.007 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.5 p -177.1 132.41 0.18 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.003 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.405 ' HA ' ' O ' ' A' ' 29' ' ' TYR . 0.3 OUTLIER -155.23 133.1 11.41 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 109.617 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.449 HG23 ' O ' ' A' ' 77' ' ' LEU . 22.6 m -90.89 142.38 27.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.817 HG22 ' CD1' ' A' ' 14' ' ' LEU . 72.6 mt -104.85 136.2 39.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.12 . . . . 0.0 109.314 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -130.84 123.95 30.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.293 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.817 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.32 179.79 5.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 0.0 109.249 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 2.2 t -150.14 126.01 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.577 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 34.4 tp60 -128.99 94.41 34.19 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 0.0 110.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.667 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.79 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.525 1.803 . . . . 0.0 110.994 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.449 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 70.9 p -117.71 -140.59 0.36 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -135.43 30.51 3.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -108.81 150.86 41.38 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -4.81 15.95 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.543 1.812 . . . . 0.0 111.054 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -100.69 76.79 1.83 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.23 43.28 0.11 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.496 1.123 . . . . 0.0 111.038 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.39 102.93 4.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 110.29 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.3 t -128.85 177.25 7.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.428 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.524 ' CD2' ' HB3' ' A' ' 14' ' ' LEU . 3.7 m-85 -139.43 179.91 6.27 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 1.101 . . . . 0.0 111.04 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -147.83 172.03 14.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.434 1.083 . . . . 0.0 109.346 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -143.45 126.21 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.405 ' O ' ' HA ' ' A' ' 10' ' ' HIS . 82.4 m-85 -126.94 -178.57 4.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -105.73 -39.22 6.13 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.475 1.109 . . . . 0.0 110.31 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.4 m -106.7 -176.96 3.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 0.0 110.01 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.5 t -91.24 -50.26 12.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.107 . . . . 0.0 109.348 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.485 ' CB ' ' CD1' ' A' ' 101' ' ' LEU . 1.2 p30 -48.52 -52.59 21.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.263 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.41 ' N ' ' OD1' ' A' ' 33' ' ' ASN . 8.9 mm-40 -46.31 -47.03 18.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.0 t -57.48 -46.95 83.12 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.134 . . . . 0.0 108.318 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 1.0 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.9 mmt -55.81 -48.82 74.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 111.017 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.2 mt-10 -37.84 -65.51 0.32 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.101 . . . . 0.0 110.279 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.7 -52.66 1.45 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.475 1.11 . . . . 0.0 110.974 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.449 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 70.6 t -54.57 -48.76 70.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.49 0.759 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.445 ' N ' ' O ' ' A' ' 37' ' ' GLU . 3.7 t -64.61 -37.53 87.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.529 1.143 . . . . 0.0 108.322 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.421 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.8 mmtp -60.64 -53.04 62.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.103 . . . . 0.0 109.272 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.449 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.2 OUTLIER -36.26 -67.48 0.17 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.123 . . . . 0.0 111.01 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.577 ' CB ' HD13 ' A' ' 64' ' ' LEU . 49.6 t80 -52.88 -49.29 66.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.27 -42.73 31.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.323 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -49.2 -53.51 20.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.433 1.083 . . . . 0.0 110.289 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -63.49 -18.1 63.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.534 1.146 . . . . 0.0 109.594 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.714 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.5 mp -86.66 -49.76 7.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.474 1.109 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.596 ' HG2' HD11 ' A' ' 57' ' ' ILE . 22.3 mttt -45.19 -52.51 9.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.344 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -28.14 48.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.108 . . . . 0.0 110.289 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -88.58 -39.12 14.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.512 1.133 . . . . 0.0 111.045 -179.988 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.466 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 1.9 m-80 -112.97 96.14 37.1 Favored Pre-proline 0 C--N 1.326 -0.442 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -44.91 0.3 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.513 1.797 . . . . 0.0 110.984 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 36.1 m-80 -65.14 -32.99 74.97 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.466 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.6 OUTLIER -39.41 107.18 0.43 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -46.39 0.24 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.508 1.794 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -125.28 0.65 7.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.977 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.596 HD11 ' HG2' ' A' ' 48' ' ' LYS . 0.9 OUTLIER 68.29 168.03 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.291 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.537 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.99 136.35 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.413 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.714 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -171.38 -177.83 2.2 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 0.0 111.035 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 12.0 m-20 -83.04 126.22 32.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.293 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.709 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -53.71 -34.29 24.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.8 t -62.08 -33.02 73.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 109.997 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 -71.11 -46.21 62.16 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 110.323 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.979 HD21 HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -52.7 -46.0 67.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 0.0 109.284 -179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.529 ' CG ' ' HD2' ' A' ' 95' ' ' LYS . 17.3 m-30 -65.94 -30.01 70.51 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.544 1.152 . . . . 0.0 111.006 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -52.01 -22.99 4.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -93.71 -22.28 18.83 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 111.002 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.488 HD13 ' HG2' ' A' ' 95' ' ' LYS . 19.8 mt -63.92 -56.96 13.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -52.49 -45.66 66.27 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.496 1.123 . . . . 0.0 109.291 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -41.38 -45.49 3.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.422 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 46.8 mt -49.19 165.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -77.44 -29.08 52.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.4 t70 165.05 108.51 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.269 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.6 tp -100.39 131.61 46.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.274 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -136.75 178.62 6.93 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.71 ' SG ' HD11 ' A' ' 94' ' ' ILE . 19.6 p -158.44 161.92 37.51 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 108.258 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.629 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -129.28 130.82 46.67 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.499 1.124 . . . . 0.0 109.311 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.681 HG21 ' CH2' ' A' ' 93' ' ' TRP . 33.7 t -110.77 131.07 62.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.5 t80 -94.82 127.33 40.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.98 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.433 ' CD ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -125.85 87.58 2.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 110.302 179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.0 -28.1 0.44 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.279 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.411 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.6 OUTLIER -49.77 -43.29 48.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 -179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.433 ' OG1' ' CD ' ' A' ' 80' ' ' ARG . 41.0 p -117.48 -8.14 11.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.107 . . . . 0.0 110.408 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 55.18 65.65 1.43 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 110.29 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 2.5 t -160.51 170.28 21.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 110.377 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.629 ' HD2' HD12 ' A' ' 77' ' ' LEU . 27.6 p90 -115.11 129.12 56.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 1.133 . . . . 0.0 111.021 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.597 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 8.3 mm100 -97.55 111.47 58.66 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.556 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -75.0 108.1 2.64 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.462 1.77 . . . . 0.0 111.011 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.597 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 98.4 m-85 -106.92 156.53 18.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.476 1.11 . . . . 0.0 111.031 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.7 m120 -91.34 168.46 11.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.458 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.5 OUTLIER -55.49 -37.58 68.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.971 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -52.92 -46.72 68.2 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.567 1.167 . . . . 0.0 109.292 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.681 ' CH2' HG21 ' A' ' 78' ' ' VAL . 51.9 t90 -53.83 -54.38 39.24 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.493 1.12 . . . . 0.0 108.047 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.01 ' O ' HG22 ' A' ' 98' ' ' ILE . 3.4 mt -57.39 -54.97 23.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.291 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.529 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 26.1 mtmt -34.95 -35.91 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.535 1.147 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.461 ' N ' ' O ' ' A' ' 94' ' ' ILE . 4.4 mm-40 -76.64 -55.95 5.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 110.26 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.588 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -52.88 -53.91 42.16 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 0.0 109.319 -179.992 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.01 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -52.7 -44.13 46.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.324 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.467 ' HD2' HG23 ' A' ' 100' ' ' VAL . 18.9 t80 -65.7 -60.68 2.65 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 111.017 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.467 HG23 ' HD2' ' A' ' 99' ' ' TYR . 61.3 t -57.29 -24.49 21.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.485 ' CD1' ' CB ' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -63.93 -35.87 82.08 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.971 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.8 -33.86 27.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 19.2 mmm180 -56.91 -46.12 82.18 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.33 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 13.0 ptm180 -74.62 -48.51 26.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.294 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.7 mt-30 -43.55 -30.34 0.58 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 110.282 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -42.29 -74.11 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.356 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 108' ' ' GLN . 6.0 mm100 -141.61 -45.25 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.451 1.094 . . . . 0.0 110.316 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 107' ' ' GLN . 1.4 tt0 -37.43 -66.61 0.23 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 110.265 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -135.48 92.04 2.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -110.4 69.82 0.21 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.541 1.15 . . . . 0.0 111.002 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.483 0.755 . . . . 0.0 109.314 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.958 0 N-CA-C 111.03 -0.828 . . . . 0.0 111.03 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -176.38 149.65 0.84 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 0.754 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -174.89 92.39 0.07 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.327 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 47.52 88.45 0.01 OUTLIER Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.472 1.107 . . . . 0.0 111.013 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -104.82 154.1 20.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -94.74 165.85 12.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.4 m -128.05 26.38 5.8 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.498 1.124 . . . . 0.0 110.364 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER 58.27 -176.13 0.08 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.449 1.093 . . . . 0.0 110.995 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 60.1 p -143.99 155.44 44.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.516 1.135 . . . . 0.0 109.999 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -174.08 -73.75 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 0.0 109.566 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.461 ' OG1' HG22 ' A' ' 32' ' ' VAL . 37.0 m -93.41 156.73 16.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 110.393 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.729 HG22 ' CD1' ' A' ' 14' ' ' LEU . 42.5 mt -130.74 131.28 64.7 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.619 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.5 tm? -126.22 123.77 38.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.345 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.808 ' N ' HD13 ' A' ' 14' ' ' LEU . 0.0 OUTLIER -125.69 -179.57 4.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 109.295 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.677 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -145.27 141.06 22.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.275 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.513 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 33.3 tp60 -144.76 95.25 5.32 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 0.0 110.323 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.838 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -51.13 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.509 1.794 . . . . 0.0 111.002 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 6.3 p -107.34 -143.99 0.38 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 110.397 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.19 -37.81 4.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.329 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 19.9 mmt180 -54.51 155.99 6.69 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 110.339 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -8.65 20.27 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.552 1.817 . . . . 0.0 111.026 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -86.77 105.55 17.06 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 115.06 28.41 2.88 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.563 1.164 . . . . 0.0 110.998 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.05 144.81 51.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 0.766 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.4 t -163.29 169.13 19.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 110.433 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.447 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.0 OUTLIER -129.62 171.3 12.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 110.985 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -145.43 176.78 9.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.526 1.141 . . . . 0.0 109.288 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.442 ' C ' ' CD1' ' A' ' 29' ' ' TYR . 0.0 OUTLIER -157.32 135.65 11.2 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.554 1.159 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 29' ' ' TYR . 6.2 m-85 -134.84 179.89 6.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.999 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -82.05 -36.81 27.31 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.63 -178.19 3.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 110.029 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.461 HG22 ' OG1' ' A' ' 11' ' ' THR . 2.5 t -91.74 -53.11 9.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.423 ' ND2' ' OE2' ' A' ' 34' ' ' GLU . 3.3 p-10 -47.62 -41.6 22.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 0.0 109.285 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.423 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.6 mm-40 -55.85 -47.12 77.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.459 1.099 . . . . 0.0 110.31 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.402 ' SG ' ' HB2' ' A' ' 13' ' ' LEU . 0.1 OUTLIER -55.37 -33.36 63.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.441 1.088 . . . . 0.0 108.267 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.926 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.5 mpp? -74.41 -29.18 61.41 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.142 . . . . 0.0 111.052 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -52.11 -47.0 65.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 110.292 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -54.17 -40.18 66.29 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.558 1.161 . . . . 0.0 111.016 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -56.28 -68.44 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.331 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 38.2 t -43.0 -52.36 5.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 0.0 108.3 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.426 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.6 mmtp -41.1 -55.14 2.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 109.268 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.677 ' SD ' HG21 ' A' ' 15' ' ' VAL . 31.2 mtm -35.71 -44.27 0.32 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 110.981 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.669 ' HB2' HD13 ' A' ' 64' ' ' LEU . 26.5 t80 -79.81 -52.94 7.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.482 1.114 . . . . 0.0 111.05 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 47' ' ' LEU . 1.2 mm-40 -47.63 -55.34 9.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG3' ' N ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -50.3 -30.36 11.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.565 1.165 . . . . 0.0 110.274 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.408 ' N ' ' HG3' ' A' ' 45' ' ' GLU . 22.9 t60 -81.29 -25.66 36.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.439 1.087 . . . . 0.0 109.581 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.711 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -79.06 -47.99 15.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.435 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.36 -68.12 0.16 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.6 -40.34 4.0 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.135 . . . . 0.0 110.282 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' LEU . 8.7 mmm -72.8 -34.98 67.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 111.009 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.7 m-80 -129.45 102.22 18.52 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -58.99 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.486 1.782 . . . . 0.0 111.021 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.9 m-80 -46.45 -31.75 2.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.415 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 9.9 p -43.7 102.53 0.28 Allowed Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 110.002 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 -45.93 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.54 1.81 . . . . 0.0 111.013 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.3 t -124.48 -0.99 8.1 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.467 1.105 . . . . 0.0 110.038 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.53 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 66.25 167.85 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.53 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.5 OUTLIER -179.91 134.88 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.525 1.141 . . . . 0.0 110.366 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.711 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 24.1 p90 -170.81 -174.1 1.49 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -83.54 124.42 30.74 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.287 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.936 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -60.88 -21.98 25.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.518 1.136 . . . . 0.0 109.331 -179.997 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 1.1 m -75.84 -16.6 60.05 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 109.988 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.443 ' CG ' ' OH ' ' A' ' 43' ' ' TYR . 3.0 tp60 -90.76 -34.4 15.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 110.337 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.823 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -63.52 -43.41 97.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.564 1.165 . . . . 0.0 109.293 -179.964 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.53 ' HA ' HD12 ' A' ' 68' ' ' ILE . 19.2 m-30 -66.55 -31.32 71.96 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 110.986 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -47.15 -26.26 1.09 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.322 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.402 ' N ' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -85.64 -33.64 21.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.449 1.093 . . . . 0.0 111.022 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.584 HD13 ' HG2' ' A' ' 95' ' ' LYS . 14.9 mt -56.52 -41.43 72.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.06 -43.66 98.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.316 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -45.15 -47.86 12.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.46 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.1 mt -44.07 160.2 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.838 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -73.6 -41.62 62.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 14.4 t70 177.32 105.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 5.5 tp -97.71 142.15 29.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.49 1.119 . . . . 0.0 109.318 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.408 ' O ' HD22 ' A' ' 14' ' ' LEU . 20.0 m -143.84 178.74 7.62 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.529 1.143 . . . . 0.0 110.04 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.615 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 22.5 p -157.22 153.89 28.31 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 108.315 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.574 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -117.17 127.02 53.71 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 78.4 t -113.16 125.36 70.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.279 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 14.7 t80 -88.11 129.74 35.22 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 111.01 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -124.43 109.62 13.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.137 . . . . 0.0 110.312 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -56.96 -18.45 13.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.139 . . . . 0.0 109.295 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.8 -55.83 17.5 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.52 1.138 . . . . 0.0 109.286 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 16.3 p -111.61 -11.04 14.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 110.363 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 mm-40 63.0 59.56 1.32 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.482 1.114 . . . . 0.0 110.311 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 7.6 t -149.11 -175.02 4.8 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.405 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.574 ' HD2' HD12 ' A' ' 77' ' ' LEU . 19.6 p90 -118.56 122.46 42.7 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 110.984 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.94 110.13 52.29 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 0.0 110.301 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.477 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 108.72 2.78 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.459 1.768 . . . . 0.0 110.987 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . . . . . . . . . 16.6 m-85 -101.93 162.74 12.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 5.2 m-20 -85.39 172.8 10.77 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.312 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.923 ' HA ' HD12 ' A' ' 94' ' ' ILE . 6.1 ptmt -64.14 -33.47 75.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.507 1.129 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.443 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 3.0 t70 -57.16 -38.03 72.96 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 109.266 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.618 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 18.4 t90 -64.74 -22.63 67.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.032 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.926 HG23 ' SD ' ' A' ' 36' ' ' MET . 11.0 mt -88.1 -39.88 13.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.458 1.098 . . . . 0.0 109.313 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.584 ' HG2' HD13 ' A' ' 68' ' ' ILE . 30.9 mtmt -58.74 -15.75 13.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.436 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 33.6 mm-40 -90.69 -59.59 2.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.519 1.137 . . . . 0.0 110.324 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.618 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -49.09 -55.63 11.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.456 1.098 . . . . 0.0 109.278 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.871 ' O ' HD22 ' A' ' 102' ' ' LEU . 17.9 tt -41.92 -58.02 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.509 ' H ' HG23 ' A' ' 98' ' ' ILE . 10.0 t80 -52.99 -55.14 25.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 110.995 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 58.9 t -59.12 -27.51 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.508 1.13 . . . . 0.0 109.241 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -70.0 -31.66 69.45 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 0.0 109.294 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.936 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -82.91 -24.5 33.09 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.438 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.9 mmm180 -64.08 -58.32 7.01 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 110.32 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -66.73 -40.6 88.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -49.33 -35.86 19.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 0.0 110.319 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -54.72 -73.09 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 0.0 109.331 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 -146.45 -70.02 0.25 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.484 1.115 . . . . 0.0 110.268 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 74.06 -65.71 0.34 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.469 1.105 . . . . 0.0 110.256 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 62.3 79.16 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.512 1.133 . . . . 0.0 109.275 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.414 ' O ' ' C ' ' A' ' 111' ' ' LYS . . . -126.51 57.77 0.69 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . 0.414 ' C ' ' O ' ' A' ' 110' ' ' GLY . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.325 -179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.0 t -95.28 -58.46 2.13 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.439 0.729 . . . . 0.0 110.022 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -131.35 147.15 52.54 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.455 1.097 . . . . 0.0 110.307 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 68.22 -174.86 29.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -109.31 64.63 0.61 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.299 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 56.53 169.39 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 30.1 p -110.33 176.22 5.13 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.474 1.108 . . . . 0.0 110.392 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptp -130.78 167.7 18.45 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 111.022 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 85.8 p -116.49 119.96 37.27 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.51 1.131 . . . . 0.0 110.0 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -113.46 -75.35 0.6 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 109.582 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 17.8 m -90.54 132.12 35.88 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.509 1.131 . . . . 0.0 110.419 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.833 HG22 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -104.86 129.16 57.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.57 1.169 . . . . 0.0 109.27 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.777 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.5 tm? -121.34 126.29 49.09 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.115 . . . . 0.0 109.246 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.084 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.22 179.74 5.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.41 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.9 t -152.27 120.56 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.294 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.904 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 11.7 tp60 -121.91 95.28 47.77 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.409 ' HA ' ' HA ' ' A' ' 71' ' ' LEU . 18.2 Cg_endo -74.98 -43.7 0.38 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.974 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.454 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 64.4 p -126.1 -139.41 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 110.415 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 13.1 tppt? -117.16 -37.8 3.49 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.1 mmt180 -47.91 149.02 2.53 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.509 1.131 . . . . 0.0 110.297 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -13.86 21.26 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.526 1.803 . . . . 0.0 110.978 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.44 97.64 5.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 1.152 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 135.47 -42.7 1.31 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.562 1.164 . . . . 0.0 111.003 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -42.72 117.44 1.04 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 0.752 . . . . 0.0 110.289 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -144.41 137.66 27.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 1.139 . . . . 0.0 110.386 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 1.084 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.3 m-85 -113.24 174.12 6.06 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.44 1.087 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.415 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -145.64 175.83 10.08 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.275 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -142.76 134.3 26.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.408 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 89.5 m-85 -138.62 -178.86 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.982 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -113.67 -35.26 5.25 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.542 1.151 . . . . 0.0 110.332 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -112.58 144.09 42.65 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.535 1.147 . . . . 0.0 110.004 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.436 HG12 ' SD ' ' A' ' 36' ' ' MET . 24.5 t -57.49 -32.45 41.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.442 1.089 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.504 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -61.44 -52.42 64.64 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.426 1.078 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.457 ' OE2' ' ND2' ' A' ' 33' ' ' ASN . 13.2 mm-40 -47.43 -36.42 9.87 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.469 1.106 . . . . 0.0 110.264 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.416 ' SG ' HD23 ' A' ' 13' ' ' LEU . 35.5 t -63.53 -67.42 0.43 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.528 1.143 . . . . 0.0 108.327 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.954 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -36.77 -51.65 0.89 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.459 1.099 . . . . 0.0 110.957 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.21 -61.28 1.55 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.319 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.94 -44.94 1.54 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.506 1.129 . . . . 0.0 111.005 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 79.4 t -66.77 -69.63 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.498 0.763 . . . . 0.0 109.29 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 4.4 t -41.5 -48.96 3.99 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.552 1.158 . . . . 0.0 108.322 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 42' ' ' MET . 37.2 mmtt -40.66 -52.09 2.95 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.505 1.128 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.437 ' C ' ' O ' ' A' ' 41' ' ' LYS . 45.2 mtm -34.97 -72.17 0.06 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 111.024 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.721 ' HB2' HD13 ' A' ' 64' ' ' LEU . 7.3 t80 -50.63 -48.66 57.98 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -48.76 -45.56 40.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -53.64 -65.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 0.0 110.275 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -48.94 -23.65 1.2 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.458 1.098 . . . . 0.0 109.607 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.71 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.0 mp -82.81 -48.02 11.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.438 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.82 -63.03 0.5 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.54 -42.53 33.63 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 0.0 110.293 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -68.98 -41.45 77.88 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 110.998 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.5 m-80 -115.7 102.62 54.17 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.326 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -52.9 0.1 Allowed 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 110.985 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.5 m-80 -57.74 -35.05 70.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.27 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -40.78 100.38 0.22 Allowed Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.472 1.108 . . . . 0.0 110.016 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -43.42 0.4 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.554 1.818 . . . . 0.0 110.996 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 75.3 m -124.26 0.97 8.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 0.0 109.984 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.73 167.91 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -178.14 133.67 0.15 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.536 1.147 . . . . 0.0 110.377 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.71 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.1 p90 -171.41 -169.83 0.76 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.13 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 41.8 m-20 -81.22 123.97 28.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.137 . . . . 0.0 109.301 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.743 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -60.62 -28.37 42.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 109.274 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.89 -26.98 54.78 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.507 1.129 . . . . 0.0 109.99 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 2.3 tt0 -80.01 -14.42 58.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.302 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.787 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -81.27 -44.49 17.64 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 0.0 109.334 179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.414 ' CD1' HD12 ' A' ' 68' ' ' ILE . 18.3 m-30 -68.16 -15.79 63.73 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -57.72 -22.66 47.7 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.296 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -95.71 -19.87 19.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.137 . . . . 0.0 111.001 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.468 ' CG2' ' HG3' ' A' ' 91' ' ' LYS . 23.4 mt -65.49 -40.56 88.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -64.75 -29.06 70.02 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -62.72 -26.93 68.93 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.129 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.409 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 91.0 mt -65.29 164.55 13.26 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 0.0 109.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.904 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -81.43 -40.2 23.73 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 44.9 t0 177.32 106.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 tp -97.78 138.55 34.97 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.496 1.123 . . . . 0.0 109.316 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.411 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -148.21 178.41 8.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 109.95 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.709 ' SG ' HD11 ' A' ' 94' ' ' ILE . 1.7 p -153.58 163.28 40.25 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.474 1.108 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.672 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.7 mm? -127.11 106.97 9.63 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.129 . . . . 0.0 109.278 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.666 HG21 ' CH2' ' A' ' 93' ' ' TRP . 45.4 t -87.54 127.25 40.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 9.6 t80 -90.3 127.21 36.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 111.033 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 -118.67 128.55 54.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -73.17 -12.26 60.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.447 1.092 . . . . 0.0 109.308 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -58.36 -46.57 86.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 72.4 p -124.9 1.82 8.06 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.124 . . . . 0.0 110.41 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 50.59 56.05 8.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 0.0 110.328 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.423 HG23 ' N ' ' A' ' 86' ' ' TYR . 12.8 t -135.66 -153.36 0.5 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.546 1.154 . . . . 0.0 110.397 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.646 ' HD2' HD12 ' A' ' 77' ' ' LEU . 13.5 p90 -129.26 136.53 50.21 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.474 1.109 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.503 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -105.44 105.05 50.96 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.51 1.131 . . . . 0.0 110.301 -179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.672 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 108.14 2.65 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.466 1.772 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.737 ' CD1' ' CD2' ' A' ' 93' ' ' TRP . 25.2 m-85 -106.49 153.92 21.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 0.0 111.027 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 36.7 t30 -82.89 164.76 20.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.885 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -59.26 -42.2 90.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 109.328 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.42 ' N ' ' HD2' ' A' ' 91' ' ' LYS . 1.0 OUTLIER -52.36 -45.83 65.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 109.331 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.737 ' CD2' ' CD1' ' A' ' 89' ' ' TYR . 74.9 t90 -53.7 -40.08 65.71 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 108.046 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.885 HD12 ' HA ' ' A' ' 91' ' ' LYS . 6.5 mt -70.45 -52.79 26.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.576 1.173 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.41 ' HD3' HG21 ' A' ' 68' ' ' ILE . 40.9 mtmt -40.09 -38.79 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 109.327 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.88 ' O ' HG23 ' A' ' 100' ' ' VAL . 49.3 mm-40 -74.27 -43.88 55.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 0.0 110.255 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.601 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -62.99 -62.51 1.67 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.545 1.153 . . . . 0.0 109.314 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.894 ' O ' HD22 ' A' ' 102' ' ' LEU . 15.4 tt -39.25 -53.09 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.453 1.096 . . . . 0.0 109.233 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.743 ' CD2' HG21 ' A' ' 61' ' ' ILE . 3.3 t80 -53.07 -54.67 32.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.88 HG23 ' O ' ' A' ' 96' ' ' GLU . 20.4 t -61.71 -32.86 55.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.505 1.128 . . . . 0.0 109.312 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.954 HD22 ' HB3' ' A' ' 36' ' ' MET . 0.1 OUTLIER -60.32 -30.2 69.35 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.12 . . . . 0.0 109.313 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.894 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -83.08 -27.15 30.43 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.528 1.142 . . . . 0.0 109.283 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.549 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 5.7 mmm180 -59.99 -58.94 6.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 110.304 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -66.55 -45.63 78.75 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 0.0 110.305 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -42.21 -45.14 4.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -48.66 -78.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.4 mm-40 -142.72 -75.42 0.27 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 110.284 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 74.04 -62.6 0.46 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.471 1.107 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -158.59 -61.35 0.08 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.286 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 129.61 61.24 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.516 1.135 . . . . 0.0 111.018 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.447 0.734 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -122.04 165.03 16.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 0.741 . . . . 0.0 110.029 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -137.47 171.15 14.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.537 1.148 . . . . 0.0 110.293 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -83.55 -162.52 33.39 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.016 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.75 150.94 1.09 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.749 . . . . 0.0 109.308 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -140.52 159.72 41.59 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 77.8 p -61.26 148.29 41.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -172.74 139.01 0.87 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 111.042 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.2 t -120.25 -40.78 2.67 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 109.952 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER 54.71 -168.53 0.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.546 1.154 . . . . 0.0 109.605 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 65.7 m -90.69 122.07 33.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 110.385 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.841 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.8 mt -96.55 136.97 25.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.72 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -127.47 123.16 35.32 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.841 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.77 -172.53 2.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 109.269 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.661 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.6 t -162.4 122.33 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.705 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 34.9 tp60 -125.66 95.9 39.37 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 0.0 110.302 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.662 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -75.01 -50.04 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.524 1.802 . . . . 0.0 110.979 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.411 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 24.5 p -112.65 -143.96 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.504 1.127 . . . . 0.0 110.428 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.0 mmtt -129.78 30.95 4.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 1.11 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 23.3 mmt85 -112.99 147.14 36.58 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.46 20.09 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.473 1.775 . . . . 0.0 111.035 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -102.07 79.11 1.84 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 110.318 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 157.42 -35.89 0.55 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.498 1.124 . . . . 0.0 110.984 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.84 138.82 38.34 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 0.755 . . . . 0.0 110.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 4.5 t -152.18 158.29 42.69 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 110.4 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.834 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.8 m-85 -113.75 176.02 5.21 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 111.01 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -155.52 176.86 12.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -144.61 139.24 27.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.276 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 32.4 m-85 -133.0 177.17 7.86 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 110.958 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 31' ' ' SER . 8.6 pt-20 -98.73 -38.34 9.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 110.269 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.401 ' N ' ' HG3' ' A' ' 30' ' ' GLU . 41.2 m -119.55 160.18 22.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 0.0 109.998 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 4.7 t -72.71 -42.98 62.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.515 1.135 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.404 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.1 p-10 -55.58 -38.63 69.64 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.527 1.142 . . . . 0.0 109.3 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.5 mm-40 -65.83 -37.8 87.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.103 . . . . 0.0 110.312 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 4.7 t -60.73 -44.92 96.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 108.255 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.406 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.0 mmt -59.3 -46.76 87.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.984 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.476 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -37.62 -70.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 110.281 179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.437 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.72 -59.73 0.68 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 43.7 t -45.75 -47.63 4.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.764 . . . . 0.0 109.331 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.476 ' N ' ' O ' ' A' ' 37' ' ' GLU . 43.4 t -62.5 -39.58 93.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 108.325 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.3 mttm -54.21 -50.6 66.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.549 1.156 . . . . 0.0 109.3 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.463 ' SD ' HG21 ' A' ' 15' ' ' VAL . 26.3 mtm -34.41 -71.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.798 ' HB2' HD13 ' A' ' 64' ' ' LEU . 15.1 t80 -51.92 -45.52 64.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.423 1.077 . . . . 0.0 111.017 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -53.22 -46.33 69.03 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.468 1.105 . . . . 0.0 110.307 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 -49.35 -65.27 0.59 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 110.315 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 4.7 t60 -52.24 -21.55 3.54 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 0.0 109.568 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.642 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 3.6 mp -81.94 -48.69 11.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 1.098 . . . . 0.0 109.321 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -38.33 -62.57 0.57 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.35 -40.93 37.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -70.77 -38.96 73.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 0.0 111.014 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.447 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -125.46 101.64 30.62 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.472 1.107 . . . . 0.0 109.28 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -56.88 0.06 OUTLIER 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.482 1.78 . . . . 0.0 111.039 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -49.05 -34.39 13.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.462 1.101 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 18.7 p -41.58 101.31 0.24 Allowed Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 110.027 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -45.43 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 74.0 m -123.59 -1.85 8.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 110.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.532 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.57 167.51 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.532 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.29 134.57 0.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.471 1.107 . . . . 0.0 110.374 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.642 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.7 p90 -171.04 -178.01 2.35 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.592 1.183 . . . . 0.0 110.968 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -82.67 127.08 33.05 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.108 . . . . 0.0 109.244 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.911 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -53.41 -39.29 35.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -54.65 -30.19 54.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.987 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.451 ' O ' ' CB ' ' A' ' 66' ' ' ASP . 0.3 OUTLIER -76.49 -44.85 33.57 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.289 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.798 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -54.83 -49.2 71.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.505 1.128 . . . . 0.0 109.305 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.764 ' CD1' HD12 ' A' ' 68' ' ' ILE . 18.5 m-30 -68.55 -15.68 63.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 111.016 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.451 ' CB ' ' O ' ' A' ' 63' ' ' GLN . 21.2 t0 -58.48 -27.23 64.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.556 1.16 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -93.57 -24.32 17.99 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 111.003 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.764 HD12 ' CD1' ' A' ' 65' ' ' PHE . 20.7 mt -56.68 -37.23 51.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.134 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -69.36 -37.59 77.68 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 109.322 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 12.7 t0 -51.19 -33.59 28.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.475 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 74.2 mt -57.39 171.53 0.41 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.705 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -86.65 -40.55 15.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 0.0 109.279 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 9.8 t70 177.19 109.69 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 0.0 109.301 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 11.6 tp -100.03 140.85 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.315 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -141.76 179.2 6.98 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.504 1.127 . . . . 0.0 109.965 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.621 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 7.0 p -157.1 160.54 38.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.519 1.137 . . . . 0.0 108.313 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.611 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -127.16 115.45 19.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 0.0 109.313 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.54 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 35.2 t -100.22 143.08 14.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -98.1 113.83 25.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.552 1.157 . . . . 0.0 110.961 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -112.95 84.48 2.0 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.07 -27.45 0.95 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.299 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 38.0 t70 -50.3 -38.67 42.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.432 ' OG1' HG22 ' A' ' 85' ' ' THR . 43.0 p -125.02 3.42 8.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 0.0 110.385 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 43.71 72.16 0.2 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.318 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.432 HG22 ' OG1' ' A' ' 83' ' ' THR . 15.1 t -167.91 164.82 13.97 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 0.0 110.377 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.611 ' HD2' HD12 ' A' ' 77' ' ' LEU . 37.3 p90 -109.3 116.7 32.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.494 1.121 . . . . 0.0 110.991 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -93.86 111.48 53.05 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.357 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.508 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 111.88 3.43 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.492 1.785 . . . . 0.0 110.984 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.617 ' CD2' ' CE2' ' A' ' 93' ' ' TRP . 18.5 m-85 -100.88 -179.56 4.1 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -100.07 -175.54 2.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 0.0 109.359 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.95 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.88 -33.31 68.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.52 1.137 . . . . 0.0 109.272 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -57.62 -41.41 81.27 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 109.276 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.635 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 55.1 t90 -64.12 -33.0 74.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.144 . . . . 0.0 107.968 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.046 ' O ' HG22 ' A' ' 98' ' ' ILE . 13.7 mt -75.19 -54.59 13.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 0.0 109.332 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.507 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 43.8 mtmt -43.71 -27.38 0.31 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.536 1.147 . . . . 0.0 109.323 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.429 ' O ' ' HB3' ' A' ' 99' ' ' TYR . 7.8 mm-40 -76.14 -62.49 1.59 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.137 . . . . 0.0 110.329 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.635 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.48 -55.44 10.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.046 HG22 ' O ' ' A' ' 94' ' ' ILE . 5.3 tt -50.93 -51.0 22.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.429 ' HB3' ' O ' ' A' ' 96' ' ' GLU . 7.5 t80 -57.97 -55.23 37.56 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 110.985 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 81.4 t -59.87 -24.26 29.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.486 1.116 . . . . 0.0 109.269 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.547 HD23 HD13 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -72.91 -34.13 66.42 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 109.328 179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.911 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -79.24 -29.39 42.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.452 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 16.0 mmm180 -56.18 -59.84 4.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 110.346 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.424 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.1 ptm180 -67.05 -48.08 69.4 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.424 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.7 OUTLIER -41.68 -37.6 1.22 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -43.86 -69.81 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 108' ' ' GLN . 19.5 mt-30 -148.16 -44.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.412 ' O ' ' O ' ' A' ' 107' ' ' GLN . 3.6 mp0 -52.74 -172.06 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -161.15 -45.46 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.298 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 104.75 -59.03 0.46 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.486 1.116 . . . . 0.0 111.031 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mttt . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.494 0.761 . . . . 0.0 109.282 179.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.04 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 20.9 m -145.82 112.23 5.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.522 0.778 . . . . 0.0 109.998 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -116.54 128.12 55.14 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.33 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.14 -166.86 11.62 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.476 1.11 . . . . 0.0 111.003 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -162.93 170.46 18.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 0.772 . . . . 0.0 109.309 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.84 176.3 5.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 109.3 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.0 t -157.6 156.4 31.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.479 1.112 . . . . 0.0 110.432 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 24.3 mtt -95.18 147.16 23.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.137 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 31.0 t 63.41 135.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.551 1.157 . . . . 0.0 110.004 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.46 ' CD2' ' C ' ' A' ' 10' ' ' HIS . 0.9 OUTLIER -163.41 152.68 14.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.468 1.105 . . . . 0.0 109.63 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.527 HG22 ' SG ' ' A' ' 35' ' ' CYS . 2.4 m -105.42 126.91 52.65 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.556 1.16 . . . . 0.0 110.371 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.799 HG22 ' CD1' ' A' ' 14' ' ' LEU . 48.0 mt -91.39 124.57 43.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 109.291 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.648 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.3 tm? -119.31 123.86 45.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.1 . . . . 0.0 109.33 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.799 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -124.36 -174.82 3.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 0.0 109.31 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -153.17 138.36 10.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.506 1.129 . . . . 0.0 109.288 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.634 HE22 ' N ' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -132.04 95.64 21.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.288 -179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.458 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.3 Cg_endo -75.04 -42.37 0.51 Allowed 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.522 1.801 . . . . 0.0 111.0 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.49 ' O ' ' CB ' ' A' ' 19' ' ' LYS . 49.2 p -141.34 -63.2 0.46 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.144 . . . . 0.0 110.41 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.634 ' N ' HE22 ' A' ' 16' ' ' GLN . 1.1 mmtt 164.39 -29.78 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.502 1.126 . . . . 0.0 109.289 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' LYS . 23.8 mmt180 -38.11 144.16 0.38 Allowed Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.128 . . . . 0.0 110.323 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.02 -11.13 21.43 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.498 1.788 . . . . 0.0 110.988 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -91.55 -13.34 32.21 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.266 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -123.63 53.07 0.76 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.495 1.122 . . . . 0.0 110.995 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.408 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.1 OUTLIER -158.31 120.8 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 0.766 . . . . 0.0 110.313 -179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.9 t -150.07 176.45 10.79 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.397 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.495 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.8 OUTLIER -137.95 168.43 19.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.967 -179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.87 172.93 12.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.463 1.102 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -144.53 126.8 15.74 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 109.286 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.461 ' CD2' ' HB3' ' A' ' 34' ' ' GLU . 93.5 m-85 -124.77 -178.61 4.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 111.036 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -93.07 -29.05 15.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.463 1.102 . . . . 0.0 110.33 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.06 171.52 12.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.998 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.41 ' O ' ' C ' ' A' ' 33' ' ' ASN . 2.2 t -75.44 -52.11 19.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.084 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.474 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 69.4 m-20 -39.93 -58.03 1.48 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 109.338 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.461 ' HB3' ' CD2' ' A' ' 29' ' ' TYR . 8.5 mm-40 -40.55 -46.77 2.57 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 0.0 110.277 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.527 ' SG ' HG22 ' A' ' 11' ' ' THR . 76.0 m -58.35 -51.04 71.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.149 . . . . 0.0 108.297 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.923 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.6 mmt -50.19 -32.04 15.32 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.49 1.119 . . . . 0.0 111.014 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -58.5 -60.73 3.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -45.93 -38.03 7.81 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.559 1.162 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.406 ' O ' ' HB2' ' A' ' 42' ' ' MET . 49.2 t -62.36 -70.54 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.487 0.757 . . . . 0.0 109.278 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.625 ' SG ' HD22 ' A' ' 64' ' ' LEU . 3.3 t -42.71 -52.42 4.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.475 1.109 . . . . 0.0 108.296 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.48 ' C ' ' O ' ' A' ' 40' ' ' CYS . 8.8 mmtp -34.15 -50.33 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.481 1.113 . . . . 0.0 109.276 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.41 ' C ' ' O ' ' A' ' 41' ' ' LYS . 37.0 mtm -36.21 -57.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.793 ' HB2' HD13 ' A' ' 64' ' ' LEU . 9.5 t80 -67.39 -47.3 70.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.981 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.468 ' O ' ' N ' ' A' ' 47' ' ' LEU . 0.8 OUTLIER -43.04 -69.99 0.12 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.262 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' HG2' ' O ' ' A' ' 42' ' ' MET . 2.0 pt-20 -47.59 -45.66 27.59 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.324 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.9 t60 -59.69 -24.91 64.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 0.0 109.59 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.686 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -84.78 -46.07 11.75 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.113 . . . . 0.0 109.291 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.4 OUTLIER -37.96 -61.11 0.68 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.262 179.995 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.92 -41.25 45.64 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 110.306 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -70.89 -41.48 71.27 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.982 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -116.87 104.38 51.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.491 1.12 . . . . 0.0 109.289 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -55.48 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.456 1.766 . . . . 0.0 110.997 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.406 ' O ' ' N ' ' A' ' 55' ' ' PRO . 10.7 p30 -55.17 -36.46 65.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.5 m -38.98 99.15 0.19 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 110.063 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.406 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.98 -43.77 0.38 Allowed 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.512 1.796 . . . . 0.0 110.983 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 42.3 t -120.24 0.13 10.58 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.521 1.138 . . . . 0.0 109.99 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.07 167.72 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.97 132.89 0.42 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.5 1.125 . . . . 0.0 110.429 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.686 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.8 p90 -166.81 170.62 12.17 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 111.042 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.465 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 6.3 m-20 -79.69 139.52 37.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.113 . . . . 0.0 109.328 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.766 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -60.18 -25.35 33.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.29 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -87.08 -16.38 35.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.974 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.465 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 21.7 mm-40 -86.45 -19.72 29.19 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.301 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.839 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -80.64 -39.2 27.8 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.499 1.125 . . . . 0.0 109.287 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.698 ' HD1' HD12 ' A' ' 68' ' ' ILE . 23.2 m-30 -71.78 -8.96 57.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -62.69 -21.09 65.5 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.437 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.1 OUTLIER -96.44 -32.62 12.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 110.987 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.727 HG21 ' HD2' ' A' ' 95' ' ' LYS . 24.7 mt -54.0 -25.73 13.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.34 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -77.22 -23.33 51.38 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.55 1.156 . . . . 0.0 109.326 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 67' ' ' PHE . 8.8 t0 -75.16 -34.34 61.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 77.5 mt -55.33 163.09 1.27 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.517 1.135 . . . . 0.0 109.31 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -77.34 -38.57 50.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.3 t70 164.81 112.07 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.457 ' O ' ' N ' ' A' ' 91' ' ' LYS . 5.5 tp -103.12 145.17 30.32 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.405 ' O ' HD22 ' A' ' 14' ' ' LEU . 22.1 m -148.83 178.76 8.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.51 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 15.9 t -154.22 156.16 36.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.58 1.175 . . . . 0.0 108.286 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.497 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.6 mm? -119.0 136.96 53.85 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 109.33 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 47.1 t -118.94 123.72 71.96 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.558 1.161 . . . . 0.0 109.254 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -93.3 128.62 39.38 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.41 ' C ' ' N ' ' A' ' 82' ' ' ASP . 1.9 ptp85 -125.95 101.68 6.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.499 1.124 . . . . 0.0 110.314 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -46.19 -26.17 0.73 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.548 1.155 . . . . 0.0 109.308 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -43.89 -55.36 4.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 45.1 p -117.57 -8.63 10.92 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.47 1.106 . . . . 0.0 110.423 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 61.11 59.38 2.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 0.0 110.277 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 5.0 t -142.51 163.42 32.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 1.116 . . . . 0.0 110.41 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.515 ' O ' ' CD2' ' A' ' 86' ' ' TYR . 44.2 p90 -104.81 113.89 27.76 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.128 . . . . 0.0 110.994 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.474 ' OE1' ' CE2' ' A' ' 89' ' ' TYR . 6.8 tm0? -83.06 112.81 41.32 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.493 1.121 . . . . 0.0 110.335 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.497 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.91 118.16 5.18 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.562 1.822 . . . . 0.0 111.031 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.716 ' CD1' ' CG ' ' A' ' 93' ' ' TRP . 32.7 m-85 -118.59 129.53 55.38 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 111.039 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.475 ' O ' HD12 ' A' ' 94' ' ' ILE . 1.4 m120 -69.77 157.77 36.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.534 1.146 . . . . 0.0 109.317 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 74' ' ' LEU . 7.3 pttp -44.58 -42.03 7.02 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -46.93 -54.22 10.53 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.355 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.716 ' CG ' ' CD1' ' A' ' 89' ' ' TYR . 83.0 t90 -50.1 -47.66 53.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 108.009 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.923 HG23 ' SD ' ' A' ' 36' ' ' MET . 3.5 mp -62.73 -53.88 41.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.513 1.133 . . . . 0.0 109.284 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.727 ' HD2' HG21 ' A' ' 68' ' ' ILE . 12.1 mtpt -41.32 -33.62 0.41 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.527 1.142 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.905 ' O ' HG23 ' A' ' 100' ' ' VAL . 51.8 mm-40 -72.6 -45.3 59.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 0.0 110.305 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.483 ' N ' ' O ' ' A' ' 94' ' ' ILE . 0.1 OUTLIER -64.11 -63.45 1.15 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.402 1.064 . . . . 0.0 109.33 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.954 ' O ' HD22 ' A' ' 102' ' ' LEU . 11.7 tt -40.88 -49.27 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 0.0 109.271 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.766 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.4 t80 -54.17 -47.97 71.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.905 HG23 ' O ' ' A' ' 96' ' ' GLU . 14.9 t -71.17 -29.73 37.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.287 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.474 ' CD1' ' HB3' ' A' ' 33' ' ' ASN . 0.7 OUTLIER -59.65 -38.16 80.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.954 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.32 -37.84 60.57 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.518 1.136 . . . . 0.0 109.285 -179.994 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -63.58 -44.98 92.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 0.0 110.275 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 6.1 ptm180 -75.99 -33.6 59.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.51 1.131 . . . . 0.0 110.299 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -58.4 -34.59 70.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 110.304 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -60.92 -67.63 0.38 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.57 1.169 . . . . 0.0 109.313 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.417 ' O ' ' CB ' ' A' ' 108' ' ' GLN . 4.4 mm-40 -143.32 -79.93 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.317 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.417 ' CB ' ' O ' ' A' ' 107' ' ' GLN . 0.3 OUTLIER 79.87 -70.81 0.09 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 1.121 . . . . 0.0 110.275 179.973 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -147.75 103.26 3.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.288 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -139.25 60.05 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.514 1.133 . . . . 0.0 110.998 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.326 -0.447 0 O-C-N 124.503 0.766 . . . . 0.0 109.335 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.984 -0.846 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 m -153.1 160.75 42.96 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 0.769 . . . . 0.0 109.993 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -111.08 -61.81 1.64 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 95.54 68.88 1.02 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.522 1.139 . . . . 0.0 110.993 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 61.1 175.8 0.11 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 0.766 . . . . 0.0 109.258 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -161.89 142.25 10.41 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.292 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 81.6 p -85.25 136.21 33.6 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.508 1.13 . . . . 0.0 110.412 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.6 mtp -56.25 128.84 37.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 110.981 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 54.7 p -174.31 175.67 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.148 . . . . 0.0 109.998 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.479 ' CE1' ' HG2' ' A' ' 30' ' ' GLU . 7.6 m170 63.99 -173.3 0.17 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.5 1.125 . . . . 0.0 109.614 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.5 m -94.22 126.76 39.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.474 1.109 . . . . 0.0 110.382 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.828 HG22 ' CD1' ' A' ' 14' ' ' LEU . 16.0 mt -99.47 123.45 52.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.53 1.143 . . . . 0.0 109.336 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.786 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.8 tm? -119.05 123.65 45.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.277 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 1.024 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.51 178.12 6.3 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 1.12 . . . . 0.0 109.362 179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.763 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.0 OUTLIER -147.67 126.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.555 1.159 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.495 ' O ' ' N ' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.01 88.52 54.12 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.284 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.432 ' HA ' HD23 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.94 -47.93 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.479 1.778 . . . . 0.0 111.024 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.462 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 3.5 p -138.48 172.05 13.47 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.523 1.14 . . . . 0.0 110.384 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.1 mmtp -79.71 52.39 1.43 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.452 ' NE ' ' O ' ' A' ' 22' ' ' GLU . 0.0 OUTLIER -121.26 122.77 28.0 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.505 1.128 . . . . 0.0 110.273 -179.973 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -3.87 14.57 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.474 1.776 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.452 ' O ' ' NE ' ' A' ' 20' ' ' ARG . 3.3 mt-10 -102.68 68.34 1.03 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.518 1.136 . . . . 0.0 110.328 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.65 -39.44 0.28 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.469 1.106 . . . . 0.0 111.008 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 6.8 mtm180 -52.0 131.37 31.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 0.753 . . . . 0.0 110.281 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -151.01 147.95 27.76 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.48 1.112 . . . . 0.0 110.422 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 1.024 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.9 m-85 -111.21 178.2 4.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -155.23 176.43 12.58 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.448 1.093 . . . . 0.0 109.302 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -146.54 134.57 21.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.301 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 85.7 m-85 -131.54 173.96 10.58 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 0.0 111.046 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.479 ' HG2' ' CE1' ' A' ' 10' ' ' HIS . 2.4 mt-10 -93.79 -48.05 6.48 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 110.294 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 44.6 m -105.0 165.72 10.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.524 1.14 . . . . 0.0 110.036 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.8 t -78.43 -38.85 23.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.307 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 3.2 p-10 -54.5 -30.77 54.47 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -72.81 -48.92 33.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.522 1.139 . . . . 0.0 110.322 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' SG ' HD23 ' A' ' 13' ' ' LEU . 7.8 t -46.26 -44.78 16.71 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 108.289 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.857 ' SD ' HG23 ' A' ' 94' ' ' ILE . 13.0 mmt -60.0 -49.21 78.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.139 . . . . 0.0 110.989 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.448 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.6 OUTLIER -38.85 -63.85 0.49 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 110.276 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.82 -38.91 1.24 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.493 1.121 . . . . 0.0 110.993 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.421 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 47.7 t -71.75 -45.96 63.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 0.754 . . . . 0.0 109.286 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' N ' ' O ' ' A' ' 37' ' ' GLU . 38.0 t -63.85 -35.12 79.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.437 1.085 . . . . 0.0 108.275 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 42' ' ' MET . 9.6 mmtp -61.63 -53.64 53.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.763 ' SD ' HG21 ' A' ' 15' ' ' VAL . 0.1 OUTLIER -35.24 -67.66 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.538 1.149 . . . . 0.0 111.017 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.628 ' CB ' HD13 ' A' ' 64' ' ' LEU . 59.1 t80 -53.73 -53.25 54.79 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.5 mt-10 -42.67 -46.54 5.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 110.258 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.418 ' C ' ' N ' ' A' ' 47' ' ' LEU . 5.5 mm-40 -48.69 -66.16 0.45 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 110.31 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.0 t60 -46.96 -24.5 0.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.118 . . . . 0.0 109.568 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.568 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -83.65 -48.56 10.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 109.304 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.416 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -39.16 -59.59 1.0 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 109.298 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.31 -40.03 58.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 110.276 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -71.77 -42.28 67.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.461 1.1 . . . . 0.0 111.016 -179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -115.32 103.71 54.08 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.472 1.108 . . . . 0.0 109.313 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 -55.49 0.08 OUTLIER 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.488 1.783 . . . . 0.0 110.958 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 55' ' ' PRO . 29.9 m-80 -55.46 -36.2 66.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.48 1.113 . . . . 0.0 109.319 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.1 m -38.53 98.79 0.18 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.497 1.123 . . . . 0.0 110.009 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.414 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -74.96 -42.02 0.58 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.503 1.791 . . . . 0.0 110.995 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.4 m -123.82 0.85 8.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.534 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.56 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.262 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.534 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -174.45 132.77 0.37 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 110.426 179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.568 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.2 p90 -169.54 -176.74 2.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.503 1.127 . . . . 0.0 110.946 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -83.92 120.26 25.87 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -50.87 -31.06 9.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.504 1.128 . . . . 0.0 109.273 -179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.6 p -66.36 -34.56 78.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 0.0 109.97 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.447 ' O ' ' N ' ' A' ' 66' ' ' ASP . 1.6 tp60 -70.95 -49.65 43.21 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 110.312 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.891 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.2 OUTLIER -45.24 -44.61 11.29 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.476 ' CD1' HD12 ' A' ' 68' ' ' ILE . 13.8 m-30 -66.34 -31.29 71.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 111.0 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' GLN . 3.1 t0 -51.54 -23.65 4.37 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.558 1.161 . . . . 0.0 109.3 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -93.43 -22.85 18.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 0.0 111.002 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.476 HD12 ' CD1' ' A' ' 65' ' ' PHE . 39.6 mt -67.98 -44.12 85.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 109.31 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.1 t0 -65.86 -31.49 72.47 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.566 1.166 . . . . 0.0 109.346 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -59.5 -33.89 71.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.152 . . . . 0.0 109.322 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.432 HD23 ' HA ' ' A' ' 17' ' ' PRO . 67.0 mt -57.34 162.1 2.97 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.276 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.495 ' N ' ' O ' ' A' ' 16' ' ' GLN . . . -70.51 -44.3 67.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.545 1.153 . . . . 0.0 109.294 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.3 t0 178.08 108.98 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.408 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.4 tp -100.24 139.5 35.82 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -147.96 179.16 7.94 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.666 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.8 p -157.28 164.07 38.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.461 1.101 . . . . 0.0 108.265 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.666 HD13 ' O ' ' A' ' 76' ' ' CYS . 2.1 mm? -126.94 126.95 44.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.538 1.149 . . . . 0.0 109.311 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.516 HG21 ' CH2' ' A' ' 93' ' ' TRP . 13.4 t -111.52 141.55 26.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 11.7 t80 -91.79 143.98 25.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 111.052 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' O ' ' N ' ' A' ' 84' ' ' GLN . 10.9 ptm180 -142.09 109.93 5.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -61.87 -14.82 37.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.322 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -53.68 -49.15 68.64 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.269 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 24.2 p -126.05 1.4 7.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.408 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mm-40 52.83 69.71 0.66 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 0.0 110.322 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.425 ' OG1' ' N ' ' A' ' 86' ' ' TYR . 9.6 t -154.42 -171.23 3.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 110.387 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.636 ' HD2' HD12 ' A' ' 77' ' ' LEU . 22.0 p90 -116.81 130.66 56.85 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.496 1.123 . . . . 0.0 110.983 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.59 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 6.9 mm100 -100.33 108.76 54.3 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.507 1.129 . . . . 0.0 110.268 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.663 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.97 107.8 2.57 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.479 1.778 . . . . 0.0 111.002 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.59 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 54.5 m-85 -106.46 131.88 53.13 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 0.0 110.964 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -63.96 -178.75 0.35 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.991 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.6 OUTLIER -72.53 -38.04 68.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -51.56 -40.66 60.15 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.481 1.113 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.596 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 70.1 t90 -62.67 -47.04 85.42 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 1.127 . . . . 0.0 108.069 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.011 ' O ' HG22 ' A' ' 98' ' ' ILE . 7.8 mt -60.11 -46.33 94.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.469 1.105 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.475 ' HD3' HG21 ' A' ' 68' ' ' ILE . 37.2 mtmt -54.48 -19.04 4.99 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.765 ' O ' HG12 ' A' ' 100' ' ' VAL . 0.0 OUTLIER -91.54 -19.96 22.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 110.271 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.596 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -95.19 -55.19 3.15 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 0.0 109.263 -179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.011 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.9 tt -49.0 -42.52 14.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 109.282 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.628 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -64.3 -64.87 0.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 111.022 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.765 HG12 ' O ' ' A' ' 96' ' ' GLU . 7.5 p -55.65 -24.1 15.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -63.6 -39.26 93.91 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.569 1.168 . . . . 0.0 109.325 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.989 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.9 -25.97 40.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.319 179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.419 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 23.0 mmm180 -62.99 -53.39 54.69 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.503 1.127 . . . . 0.0 110.327 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.429 ' CB ' ' HG3' ' A' ' 108' ' ' GLN . 2.3 ptm85 -69.31 -43.44 73.78 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.119 . . . . 0.0 110.291 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.429 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.5 mt-30 -46.48 -37.39 7.77 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.145 . . . . 0.0 110.317 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -56.49 -69.72 0.14 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.542 1.151 . . . . 0.0 109.304 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -139.81 -79.97 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 0.0 110.334 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.615 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 1.1 tm0? 75.11 -72.91 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.517 1.136 . . . . 0.0 110.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.615 ' HB3' ' O ' ' A' ' 108' ' ' GLN . . . 78.29 -60.23 0.41 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.129 . . . . 0.0 109.313 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 148.83 -89.45 0.14 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.486 1.116 . . . . 0.0 110.99 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.543 0.79 . . . . 0.0 109.313 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.0 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.6 p -120.87 -56.43 1.94 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.53 0.783 . . . . 0.0 110.02 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 62.5 143.32 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 110.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.88 -104.74 0.92 Allowed Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 58.27 177.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.439 0.729 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 61.52 166.16 0.09 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.443 1.089 . . . . 0.0 109.302 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.3 t -45.34 168.3 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.529 1.143 . . . . 0.0 110.431 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -119.78 30.74 6.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 110.967 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.5 t 63.54 139.64 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.987 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 27.4 m-70 -125.56 -71.53 0.7 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.636 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.502 HG21 ' HB2' ' A' ' 35' ' ' CYS . 18.3 m -94.12 130.9 40.13 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.538 1.149 . . . . 0.0 110.439 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.821 HG22 ' CD1' ' A' ' 14' ' ' LEU . 18.7 mt -102.47 125.09 56.79 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.452 1.095 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.77 ' C ' HD13 ' A' ' 14' ' ' LEU . 2.7 tm? -120.27 125.01 47.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.821 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -129.68 178.38 6.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.307 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -149.68 131.46 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.307 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.658 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 41.2 tp60 -133.2 96.02 17.89 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.468 1.105 . . . . 0.0 110.336 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.634 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.0 -50.19 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.484 1.781 . . . . 0.0 110.991 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 37.4 p -110.94 -150.81 0.47 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 110.399 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -109.43 -31.22 7.61 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.299 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.2 mmt85 -57.76 152.77 35.0 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 0.0 110.316 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -6.58 18.26 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.502 1.791 . . . . 0.0 110.99 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -56.95 -17.09 8.37 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 110.346 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -121.21 62.1 0.52 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 110.994 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -117.85 75.44 1.0 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.483 0.755 . . . . 0.0 110.331 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.9 t -116.8 141.31 48.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.427 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.573 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.3 m-85 -137.79 168.02 20.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.5 1.125 . . . . 0.0 111.014 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -138.47 175.73 9.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 0.0 109.314 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -142.67 123.4 14.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 109.276 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 76.8 m-85 -127.9 177.94 6.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.466 1.104 . . . . 0.0 111.053 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -107.94 -38.26 5.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 110.294 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -102.79 169.61 8.5 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.026 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 5.5 t -86.42 -52.32 12.04 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.534 ' O ' HD13 ' A' ' 101' ' ' LEU . 4.0 p-10 -48.42 -34.46 10.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.482 1.114 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mm-40 -70.89 -40.66 72.08 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.542 1.151 . . . . 0.0 110.285 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.502 ' HB2' HG21 ' A' ' 11' ' ' THR . 7.7 t -53.09 -45.0 68.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.121 . . . . 0.0 108.29 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.533 ' HE1' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -62.25 -43.15 99.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 110.975 -179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -37.84 -55.6 1.18 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.32 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -49.16 -41.82 31.0 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.54 1.15 . . . . 0.0 111.037 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' N ' ' O ' ' A' ' 36' ' ' MET . 78.4 t -64.31 -70.1 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.448 0.734 . . . . 0.0 109.297 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.499 ' SG ' HD11 ' A' ' 98' ' ' ILE . 0.5 OUTLIER -38.45 -52.21 1.57 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 108.275 -179.95 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 40' ' ' CYS . 10.7 mmtp -36.77 -49.15 0.77 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.427 1.079 . . . . 0.0 109.333 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.448 ' N ' ' O ' ' A' ' 39' ' ' VAL . 23.3 mtm -34.18 -70.42 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 110.958 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.72 ' HB2' HD13 ' A' ' 64' ' ' LEU . 7.8 t80 -56.98 -50.59 72.21 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.112 . . . . 0.0 110.964 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 44' ' ' GLU . 0.5 OUTLIER -36.98 -68.27 0.15 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.492 1.12 . . . . 0.0 110.317 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.444 ' O ' ' N ' ' A' ' 48' ' ' LYS . 15.9 mm-40 -40.05 -67.58 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.443 ' CD2' ' CD1' ' A' ' 47' ' ' LEU . 2.7 t60 -41.02 -32.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.536 1.148 . . . . 0.0 109.577 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.637 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.8 mp -81.54 -46.96 13.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.148 . . . . 0.0 109.28 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 45' ' ' GLU . 0.6 OUTLIER -37.41 -62.97 0.48 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.453 1.096 . . . . 0.0 109.279 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.93 -41.87 47.19 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.505 1.128 . . . . 0.0 110.262 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.0 OUTLIER -69.32 -36.83 77.36 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 111.011 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -122.54 103.15 38.31 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 0.0 109.297 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -61.41 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.548 1.815 . . . . 0.0 110.965 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' N ' ' A' ' 55' ' ' PRO . 11.8 p30 -50.37 -36.36 32.13 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -38.16 98.52 0.17 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.477 1.111 . . . . 0.0 109.965 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.413 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.2 Cg_endo -75.06 -40.92 0.74 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.497 1.788 . . . . 0.0 110.967 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 70.8 m -122.08 -0.06 9.53 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.024 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.54 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.25 168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.292 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.54 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -170.32 131.93 0.99 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 -179.999 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.637 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 19.3 p90 -169.15 -179.32 3.53 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.545 1.153 . . . . 0.0 110.963 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 80.3 m-20 -85.6 122.42 29.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 109.351 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.625 HD11 HD23 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -49.99 -29.74 5.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.557 1.16 . . . . 0.0 109.317 -179.969 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -76.69 -30.47 56.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.987 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.469 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 33.0 mm-40 -70.99 -25.89 62.89 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.72 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -74.93 -41.44 59.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.668 ' HD1' HD12 ' A' ' 68' ' ' ILE . 19.6 m-85 -70.73 -13.02 61.9 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 0.0 111.016 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 5.7 t0 -63.31 -20.98 65.97 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.515 1.135 . . . . 0.0 109.315 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -96.78 -35.76 10.86 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.488 1.117 . . . . 0.0 111.008 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.668 HD12 ' HD1' ' A' ' 65' ' ' PHE . 23.5 mt -57.39 -20.11 12.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.508 1.13 . . . . 0.0 109.269 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 20.6 t70 -77.53 -28.67 52.06 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 26.2 t0 -68.79 -36.09 77.85 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.138 . . . . 0.0 109.33 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.461 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.1 mt -46.11 168.76 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 0.0 109.253 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.658 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -89.09 -42.46 11.7 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.46 1.1 . . . . 0.0 109.304 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 58.9 t0 177.22 106.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 109.308 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.427 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 7.4 tp -101.25 135.94 41.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.15 . . . . 0.0 109.329 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' A' ' 89' ' ' TYR . 1.1 m -138.94 176.47 8.66 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.457 1.098 . . . . 0.0 109.999 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.599 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.8 p -150.91 154.81 37.88 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.491 1.119 . . . . 0.0 108.279 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.601 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.1 mm? -121.46 118.08 28.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.441 1.088 . . . . 0.0 109.342 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 98.7 t -105.16 129.09 58.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.492 1.12 . . . . 0.0 109.318 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.77 126.17 35.22 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.521 1.138 . . . . 0.0 111.019 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.437 ' O ' ' N ' ' A' ' 84' ' ' GLN . 8.7 ptm180 -123.88 112.54 17.38 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.498 1.124 . . . . 0.0 110.278 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -65.44 -14.18 60.37 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.88 -51.92 64.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.497 1.123 . . . . 0.0 109.265 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 29.7 p -119.87 -4.89 10.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 0.0 110.376 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.4 mm-40 58.91 66.2 1.1 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.465 1.103 . . . . 0.0 110.285 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -157.29 164.39 37.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.439 1.087 . . . . 0.0 110.39 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.601 ' HD2' HD12 ' A' ' 77' ' ' LEU . 29.4 p90 -106.56 118.35 36.42 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.577 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -91.6 112.45 54.44 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 118.93 5.44 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.473 1.775 . . . . 0.0 110.96 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.577 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.1 m-30 -117.06 149.2 40.69 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.451 1.095 . . . . 0.0 110.981 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -71.79 -171.14 0.64 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.526 1.141 . . . . 0.0 109.3 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.993 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.2 OUTLIER -79.2 -17.56 54.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.537 1.148 . . . . 0.0 109.32 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -63.27 -48.01 79.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.513 1.133 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.625 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 29.5 t90 -60.16 -35.76 76.03 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.993 HD12 ' HA ' ' A' ' 91' ' ' LYS . 15.6 mt -70.06 -55.98 12.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.337 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.624 ' HD2' HG21 ' A' ' 68' ' ' ILE . 4.1 mtpp -50.65 -22.47 2.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.862 ' O ' HG23 ' A' ' 100' ' ' VAL . 3.5 mm-40 -80.63 -44.98 18.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.496 1.122 . . . . 0.0 110.264 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.625 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -68.9 -62.98 1.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.937 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.897 HG22 ' O ' ' A' ' 94' ' ' ILE . 11.7 tt -38.57 -48.5 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.301 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.591 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.3 t80 -55.78 -49.23 73.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.862 HG23 ' O ' ' A' ' 96' ' ' GLU . 17.6 t -68.05 -27.84 38.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.502 1.126 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD13 ' O ' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -64.71 -31.77 73.14 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.306 179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.84 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -79.01 -33.57 44.8 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 -179.979 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.445 ' HA ' ' NH1' ' A' ' 103' ' ' ARG . 4.9 mmm180 -53.36 -56.84 13.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.56 1.162 . . . . 0.0 110.284 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.461 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.1 ptm180 -69.05 -50.0 52.47 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.54 1.15 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.461 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -41.19 -38.25 1.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.142 . . . . 0.0 110.306 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -55.03 -77.49 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.545 1.153 . . . . 0.0 109.307 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 26.7 mt-30 -147.27 -77.0 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 110.277 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.3 tp60 77.35 -58.79 0.48 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.538 1.149 . . . . 0.0 110.262 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -148.63 -53.63 0.18 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.465 1.103 . . . . 0.0 109.292 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 134.51 65.33 0.07 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.506 1.129 . . . . 0.0 110.942 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mtpt . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.475 0.75 . . . . 0.0 109.318 179.973 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.979 -0.848 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.3 m -91.01 169.52 10.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.526 0.78 . . . . 0.0 109.976 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -106.25 110.38 22.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 0.0 110.268 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -167.49 131.56 2.37 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.532 1.145 . . . . 0.0 110.966 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -175.45 176.62 1.95 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.545 0.791 . . . . 0.0 109.304 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -97.61 148.27 23.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.283 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 22.5 p -124.59 130.64 52.81 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.123 . . . . 0.0 110.43 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mtt -56.41 159.78 3.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.537 1.148 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 49.1 m -116.47 126.64 53.67 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.037 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -136.31 -66.0 0.55 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.499 1.124 . . . . 0.0 109.585 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.471 HG22 ' SG ' ' A' ' 35' ' ' CYS . 38.7 m -91.66 157.85 16.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 110.399 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.813 HG22 ' CD1' ' A' ' 14' ' ' LEU . 11.0 mt -122.79 126.1 73.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.449 1.093 . . . . 0.0 109.313 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.841 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -121.25 123.49 42.35 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.126 . . . . 0.0 109.343 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.841 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -130.92 176.64 8.07 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.514 1.134 . . . . 0.0 109.301 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -145.33 140.99 22.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.615 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 25.3 tp60 -146.14 93.55 5.07 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.32 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.78 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.01 -49.04 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.485 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.434 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 67.1 p -110.3 -143.64 0.39 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -117.52 -39.42 3.16 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.252 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.7 mmt-85 -44.55 152.2 0.54 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.44 1.087 . . . . 0.0 110.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.459 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -13.25 21.45 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.528 1.804 . . . . 0.0 110.983 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.46 99.53 4.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.098 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 25' ' ' THR . . . 131.31 -38.16 1.97 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.482 1.114 . . . . 0.0 111.001 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.459 ' NE ' ' HA ' ' A' ' 21' ' ' PRO . 65.1 mtm180 -41.64 96.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 0.764 . . . . 0.0 110.324 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.446 ' N ' ' O ' ' A' ' 23' ' ' GLY . 10.0 t -121.24 153.08 38.1 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 110.422 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.2 m-85 -135.26 169.91 16.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.986 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -152.46 177.14 10.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.445 1.091 . . . . 0.0 109.34 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -140.57 134.15 30.15 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.455 1.097 . . . . 0.0 109.249 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 60.9 m-85 -123.74 169.79 11.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 0.0 110.991 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -80.47 -50.02 10.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.8 p -118.16 177.81 4.66 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.504 1.128 . . . . 0.0 109.978 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.51 HG13 ' CE ' ' A' ' 36' ' ' MET . 1.5 t -77.32 -49.93 21.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.558 ' HA ' HD13 ' A' ' 101' ' ' LEU . 61.0 m-20 -41.15 -48.57 3.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.443 1.09 . . . . 0.0 109.276 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -67.47 -38.73 84.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.471 ' SG ' HG22 ' A' ' 11' ' ' THR . 49.2 t -52.04 -57.02 10.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 0.0 108.303 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.845 ' SD ' HG23 ' A' ' 94' ' ' ILE . 1.5 mpp? -64.47 -48.5 74.98 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.492 1.12 . . . . 0.0 110.956 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.415 ' C ' ' O ' ' A' ' 36' ' ' MET . 3.5 tt0 -37.41 -53.19 1.14 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.13 . . . . 0.0 110.283 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -42.61 -43.69 5.1 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.508 1.13 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.657 HG13 ' HE3' ' A' ' 42' ' ' MET . 74.4 t -61.97 -52.9 54.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 25.6 t -45.38 -35.86 3.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 108.303 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.2 OUTLIER -57.11 -52.23 66.13 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.502 1.126 . . . . 0.0 109.341 179.959 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.657 ' HE3' HG13 ' A' ' 39' ' ' VAL . 28.2 mtm -34.09 -72.95 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.0 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.621 ' HB2' HD13 ' A' ' 64' ' ' LEU . 14.6 t80 -48.27 -53.97 15.33 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.922 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -44.26 -42.8 6.87 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.559 1.162 . . . . 0.0 110.346 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -56.59 -65.07 0.67 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 6.0 t60 -50.05 -22.89 1.78 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.604 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.65 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.6 mp -83.67 -48.12 10.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.83 -62.11 0.58 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.01 -42.44 38.0 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.263 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -69.37 -40.73 77.28 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.446 1.091 . . . . 0.0 111.032 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 -116.96 102.65 52.84 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -52.15 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.473 1.775 . . . . 0.0 111.009 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.6 p30 -57.8 -35.46 70.85 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 1.2 m -40.98 100.51 0.22 Allowed Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.444 1.09 . . . . 0.0 110.027 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -44.36 0.34 Allowed 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.473 1.775 . . . . 0.0 110.995 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.5 t -122.95 0.77 9.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.012 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.547 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.58 167.99 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.489 1.118 . . . . 0.0 109.283 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.547 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -175.53 133.4 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.65 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.6 p90 -170.99 -174.85 1.61 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.539 1.15 . . . . 0.0 111.029 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.44 ' O ' ' N ' ' A' ' 63' ' ' GLN . 4.2 m-20 -83.17 121.41 27.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.309 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.555 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.4 OUTLIER -43.85 -35.1 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.103 . . . . 0.0 109.334 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -66.04 -44.76 83.66 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.991 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.52 ' O ' ' CZ ' ' A' ' 43' ' ' TYR . 3.2 tp60 -57.48 -29.51 64.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.348 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.888 HD21 HD11 ' A' ' 98' ' ' ILE . 0.2 OUTLIER -65.63 -42.53 91.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.335 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CD1' ' HG2' ' A' ' 95' ' ' LYS . 17.6 m-30 -68.67 -23.94 64.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 110.952 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -48.55 -23.85 1.12 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -95.59 -29.98 14.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 0.0 110.949 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.663 HD13 ' HG3' ' A' ' 95' ' ' LYS . 15.1 mt -60.91 -28.04 42.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -70.45 -50.18 40.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.498 1.124 . . . . 0.0 109.283 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -45.52 -44.22 12.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 109.344 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.468 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 93.5 mt -45.58 157.5 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.12 . . . . 0.0 109.292 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.78 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -78.67 -34.6 46.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.2 t0 169.13 106.61 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD12 ' O ' ' A' ' 14' ' ' LEU . 4.2 tp -99.24 140.4 33.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 109.322 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.737 ' HA ' HD11 ' A' ' 94' ' ' ILE . 38.2 m -146.82 177.34 9.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.978 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.457 ' O ' HD13 ' A' ' 77' ' ' LEU . 21.8 p -158.46 160.61 36.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.505 1.128 . . . . 0.0 108.269 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.594 ' HB2' HD12 ' A' ' 12' ' ' ILE . 2.5 mm? -120.99 131.0 54.03 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.426 HG22 HG22 ' A' ' 32' ' ' VAL . 38.0 t -120.4 124.01 71.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.314 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -75.44 136.72 40.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.414 ' CZ ' ' CB ' ' A' ' 80' ' ' ARG . 0.1 OUTLIER -137.49 85.27 2.11 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.448 1.092 . . . . 0.0 110.305 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -40.75 -33.26 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.575 1.172 . . . . 0.0 109.292 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -41.36 -46.25 3.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.273 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 74.7 p -114.21 -16.19 12.09 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.387 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 65.64 55.99 0.96 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.501 1.126 . . . . 0.0 110.285 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.434 HG23 ' N ' ' A' ' 86' ' ' TYR . 1.6 t -154.46 -174.43 4.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.531 1.144 . . . . 0.0 110.419 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.511 ' HD2' HD12 ' A' ' 77' ' ' LEU . 27.5 p90 -120.4 124.32 45.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.525 1.141 . . . . 0.0 111.041 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.44 ' NE2' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -94.74 111.37 54.0 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.444 1.09 . . . . 0.0 110.328 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.49 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -74.98 108.09 2.63 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.494 1.786 . . . . 0.0 110.996 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.653 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 19.2 m-85 -99.0 134.95 41.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.475 1.109 . . . . 0.0 111.029 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -77.09 165.87 24.02 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.44 1.088 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.87 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -52.23 -31.24 31.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.14 . . . . 0.0 109.289 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 20.9 t0 -62.71 -45.69 91.6 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.653 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 6.9 t90 -66.81 -33.6 75.97 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.003 ' O ' HG22 ' A' ' 98' ' ' ILE . 19.9 mt -70.1 -55.87 13.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.471 1.107 . . . . 0.0 109.306 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.663 ' HG3' HD13 ' A' ' 68' ' ' ILE . 7.4 mtpt -42.52 -28.02 0.19 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.526 1.141 . . . . 0.0 109.271 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.616 ' O ' HG12 ' A' ' 100' ' ' VAL . 2.0 mm-40 -75.29 -62.41 1.57 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.589 ' HG2' ' CH2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -48.31 -55.93 9.38 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.56 1.163 . . . . 0.0 109.312 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.015 ' O ' HD22 ' A' ' 102' ' ' LEU . 4.9 tt -50.7 -44.38 25.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.326 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.622 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.41 -63.29 1.22 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 110.998 179.97 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.622 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.3 p -58.33 -21.22 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.558 HD13 ' HA ' ' A' ' 33' ' ' ASN . 1.0 OUTLIER -67.09 -44.19 80.64 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.117 . . . . 0.0 109.284 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.015 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -75.23 -34.52 61.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.46 1.1 . . . . 0.0 109.308 -179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 99' ' ' TYR . 0.8 OUTLIER -62.0 -50.37 72.32 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.485 1.116 . . . . 0.0 110.344 179.942 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.41 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 15.6 ptm180 -71.52 -41.23 69.46 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.545 1.153 . . . . 0.0 110.282 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.41 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.4 OUTLIER -40.92 -32.8 0.25 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.539 1.15 . . . . 0.0 110.289 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -74.0 -79.4 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.426 1.079 . . . . 0.0 109.256 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.415 ' O ' ' CB ' ' A' ' 108' ' ' GLN . 37.2 mt-30 -149.2 -74.16 0.17 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 110.323 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.415 ' CB ' ' O ' ' A' ' 107' ' ' GLN . 0.0 OUTLIER 80.83 -74.76 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.133 . . . . 0.0 110.272 179.96 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -85.57 -58.21 2.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.289 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 51.01 91.86 0.01 OUTLIER Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.469 0.747 . . . . 0.0 109.272 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 111.016 -0.833 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -105.47 164.24 12.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.521 0.777 . . . . 0.0 110.039 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -156.65 163.25 39.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.479 1.112 . . . . 0.0 110.313 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.72 154.26 33.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.544 1.152 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.94 93.09 3.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 0.763 . . . . 0.0 109.316 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -132.2 139.67 48.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.489 1.118 . . . . 0.0 109.24 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 13.5 t -147.17 152.33 38.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.426 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -134.09 157.5 46.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 0.0 110.989 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.43 ' CB ' ' HB2' ' A' ' 28' ' ' ASP . 87.7 p -131.33 118.52 20.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 109.985 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -93.59 -64.52 1.08 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.436 1.085 . . . . 0.0 109.645 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.468 ' CG2' ' HB2' ' A' ' 35' ' ' CYS . 78.2 m -97.55 139.04 34.05 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.482 1.114 . . . . 0.0 110.411 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 14' ' ' LEU . 35.6 mt -111.37 125.58 68.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 109.319 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.744 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -120.63 124.23 44.74 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 109.31 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.797 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -126.22 -177.88 4.12 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 0.0 109.319 179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.6 t -151.17 119.84 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.52 1.137 . . . . 0.0 109.298 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.607 ' NE2' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -118.31 88.83 34.18 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 110.294 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.402 ' C ' ' CG2' ' A' ' 18' ' ' THR . 18.3 Cg_endo -75.04 -37.76 1.87 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.486 1.782 . . . . 0.0 111.016 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.451 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 5.9 p -148.0 164.53 33.52 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.445 1.091 . . . . 0.0 110.439 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.27 -32.06 68.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.453 1.095 . . . . 0.0 109.302 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.0 mmt85 -56.41 153.69 19.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -10.27 21.12 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.516 1.798 . . . . 0.0 111.022 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.38 -27.57 2.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 1.126 . . . . 0.0 110.279 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.51 59.37 0.59 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.454 1.096 . . . . 0.0 111.028 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.484 ' CG ' ' O ' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -117.84 61.53 0.76 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.527 0.781 . . . . 0.0 110.313 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.409 ' C ' ' CD1' ' A' ' 26' ' ' TYR . 8.7 t -117.39 154.94 30.47 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 110.404 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.537 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 2.7 m-85 -140.15 177.95 7.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.993 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.15 176.9 9.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.43 ' HB2' ' CB ' ' A' ' 9' ' ' SER . 2.0 p30 -144.5 133.04 22.1 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 96.7 m-85 -134.41 179.82 6.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.14 . . . . 0.0 110.99 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -111.94 -28.2 8.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.347 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 2.8 m -119.54 147.46 44.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 0.0 109.993 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 18.5 t -59.36 -51.39 73.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.481 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.6 OUTLIER -44.62 -46.76 10.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.507 1.129 . . . . 0.0 109.298 -179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.426 ' HB3' ' CD1' ' A' ' 29' ' ' TYR . 79.8 mm-40 -54.92 -51.37 66.28 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.27 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.468 ' HB2' ' CG2' ' A' ' 11' ' ' THR . 11.0 t -45.99 -51.36 13.64 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 108.258 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.912 ' SD ' HG23 ' A' ' 94' ' ' ILE . 11.8 mmt -50.6 -48.66 57.72 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.56 1.162 . . . . 0.0 110.978 -179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' O ' ' N ' ' A' ' 40' ' ' CYS . 0.4 OUTLIER -38.72 -60.94 0.77 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 110.319 -179.949 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -36.65 -42.19 0.65 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.535 1.147 . . . . 0.0 110.964 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG21 HG21 ' A' ' 94' ' ' ILE . 62.4 t -65.1 -51.45 65.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.476 0.75 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.458 ' N ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -62.43 -40.45 96.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 1.113 . . . . 0.0 108.284 179.991 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.458 ' N ' ' SG ' ' A' ' 40' ' ' CYS . 19.3 mmmt -51.43 -56.53 12.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.453 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -35.84 -67.68 0.15 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 0.0 110.972 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.737 ' HB2' HD13 ' A' ' 64' ' ' LEU . 18.6 t80 -57.02 -42.19 79.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 0.0 111.008 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.423 ' O ' ' HB2' ' A' ' 47' ' ' LEU . 3.4 mt-10 -53.43 -40.98 65.6 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.528 1.142 . . . . 0.0 110.308 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.421 ' HA ' ' HG2' ' A' ' 48' ' ' LYS . 1.0 OUTLIER -55.3 -52.06 64.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -67.03 -11.5 57.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 0.0 109.605 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.54 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 2.9 mp -83.74 -43.78 15.13 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.46 ' C ' ' O ' ' A' ' 47' ' ' LEU . 1.2 mmtp -34.53 -70.35 0.08 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.85 -41.45 11.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 110.327 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 26.0 mmm -68.27 -34.06 75.49 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.526 1.141 . . . . 0.0 111.003 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.487 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 m-80 -142.1 98.98 6.07 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.558 1.162 . . . . 0.0 109.289 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.98 -67.12 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.455 1.766 . . . . 0.0 110.974 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.418 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.6 p30 -42.54 -28.15 0.2 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 109.26 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 43.3 p -36.82 98.98 0.17 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.526 1.141 . . . . 0.0 109.998 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -74.99 -44.74 0.32 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.4 t -122.78 -2.07 8.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 109.987 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.8 OUTLIER 64.49 167.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 0.0 109.334 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -177.33 133.26 0.17 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.552 1.158 . . . . 0.0 110.434 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.54 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 30.9 p90 -178.12 158.25 1.18 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.952 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -54.11 162.22 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.878 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -90.48 -43.63 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -60.59 -15.11 24.61 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.538 1.149 . . . . 0.0 109.993 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 10.7 mm-40 -83.07 -29.21 28.96 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 110.239 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.737 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -87.79 -31.8 19.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.248 -179.956 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.648 ' CE2' HG23 ' A' ' 61' ' ' ILE . 13.8 m-30 -72.76 -23.5 60.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 111.004 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.55 -20.64 66.35 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -93.79 -26.38 16.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.457 1.098 . . . . 0.0 111.026 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.419 HG22 ' HD3' ' A' ' 91' ' ' LYS . 38.1 mt -59.81 -53.9 42.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -56.32 -35.71 67.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.489 1.118 . . . . 0.0 109.33 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 7.7 t0 -51.15 -36.93 43.33 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 109.311 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 40.6 mt -56.84 177.09 0.08 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.607 ' HB3' ' NE2' ' A' ' 16' ' ' GLN . . . -84.08 -44.05 14.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.093 . . . . 0.0 109.288 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 26.7 t70 179.95 105.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.49 1.119 . . . . 0.0 109.347 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -97.96 136.1 38.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.088 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 5.1 m -145.83 179.27 7.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 110.019 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.579 ' SG ' HD11 ' A' ' 94' ' ' ILE . 2.4 p -153.21 162.21 41.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 0.0 108.302 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.542 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -123.18 126.82 47.7 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.503 1.127 . . . . 0.0 109.295 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.408 HG21 ' CH2' ' A' ' 93' ' ' TRP . 17.1 t -105.52 127.32 60.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.524 1.14 . . . . 0.0 109.322 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.405 ' CD1' ' C ' ' A' ' 79' ' ' TYR . 0.5 OUTLIER -91.48 103.49 16.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 0.0 111.041 179.998 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.423 ' C ' ' N ' ' A' ' 82' ' ' ASP . 0.1 OUTLIER -98.71 91.21 5.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -44.96 -26.59 0.44 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.502 1.126 . . . . 0.0 109.315 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.423 ' N ' ' C ' ' A' ' 80' ' ' ARG . 30.4 m-20 -45.21 -46.88 12.54 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.6 p -126.14 8.37 7.29 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.513 1.133 . . . . 0.0 110.386 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mt-30 44.02 73.06 0.16 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.332 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.6 t -154.15 -177.22 6.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 110.398 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.542 ' HD2' HD12 ' A' ' 77' ' ' LEU . 22.4 p90 -123.22 126.3 46.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.992 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.583 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -101.1 111.59 63.69 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.31 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.454 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.6 Cg_endo -74.99 107.88 2.59 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.507 1.793 . . . . 0.0 111.023 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.583 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 82.3 m-85 -106.85 137.77 44.27 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.136 . . . . 0.0 110.953 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 23.2 t30 -64.37 179.55 0.58 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.525 1.141 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.794 ' HA ' HD12 ' A' ' 94' ' ' ILE . 3.1 ptpp? -72.0 -38.65 69.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -52.46 -45.02 65.91 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.154 . . . . 0.0 109.272 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.576 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 77.4 t90 -55.72 -39.94 71.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 108.003 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.008 ' O ' HG22 ' A' ' 98' ' ' ILE . 7.8 mt -71.25 -54.22 18.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.465 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 37.1 mtmt -41.69 -29.81 0.2 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.321 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.833 ' O ' HG23 ' A' ' 100' ' ' VAL . 9.3 mm-40 -81.55 -44.38 17.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.269 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.576 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -65.56 -57.6 7.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.008 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.0 tt -44.32 -45.47 2.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 109.287 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.475 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.1 t80 -59.49 -51.08 71.4 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.469 1.106 . . . . 0.0 111.01 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.833 HG23 ' O ' ' A' ' 96' ' ' GLU . 19.0 t -65.99 -30.55 50.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.3 OUTLIER -57.57 -36.08 71.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 109.32 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.878 HD23 HD11 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -78.51 -35.83 45.78 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 109.287 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 18.7 mmm180 -56.73 -49.17 76.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 110.301 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.458 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.9 ptm180 -73.91 -47.05 40.56 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.144 . . . . 0.0 110.305 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.458 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 1.3 mt-30 -46.01 -33.24 3.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.107 . . . . 0.0 110.313 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -69.21 -85.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 109.288 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -142.34 -70.76 0.34 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 0.0 110.348 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.85 -66.25 0.31 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.447 1.092 . . . . 0.0 110.285 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.7 100.33 0.57 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 109.275 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -104.3 60.48 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 0.0 110.974 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.515 0.773 . . . . 0.0 109.314 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.038 0 N-CA-C 110.96 -0.856 . . . . 0.0 110.96 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -153.46 142.26 21.06 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 0.762 . . . . 0.0 110.022 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -174.52 129.62 0.34 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.459 1.099 . . . . 0.0 110.266 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.0 -125.43 0.86 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.52 1.138 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -116.89 156.78 26.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.565 0.803 . . . . 0.0 109.304 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -135.04 155.95 49.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.25 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 59.2 m -139.17 146.64 40.83 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.491 1.119 . . . . 0.0 110.394 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.0 ptt? -97.08 146.6 24.87 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.499 1.124 . . . . 0.0 110.983 -179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.521 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 0.3 OUTLIER 178.37 179.45 0.35 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.112 . . . . 0.0 110.01 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 26.6 m170 66.18 -167.19 0.21 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.603 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.625 HG22 ' SG ' ' A' ' 35' ' ' CYS . 1.9 m -96.95 155.43 16.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 1.113 . . . . 0.0 110.423 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.824 HG22 ' CD1' ' A' ' 14' ' ' LEU . 56.7 mt -121.08 124.85 73.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.601 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -119.04 122.04 41.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.116 . . . . 0.0 109.366 179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.824 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -124.25 172.1 9.34 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.507 1.129 . . . . 0.0 109.274 -179.943 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.449 HG21 ' CE ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -141.88 120.66 9.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.514 1.134 . . . . 0.0 109.292 179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.56 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 36.9 tp60 -123.04 96.34 44.92 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.542 1.151 . . . . 0.0 110.304 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.701 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.2 Cg_endo -74.98 -51.02 0.12 Allowed 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.521 1.8 . . . . 0.0 111.015 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.444 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 73.2 p -116.9 -139.43 0.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 0.0 110.387 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.84 -35.89 4.99 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.285 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 mmt85 -42.59 154.37 0.29 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 0.0 110.271 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.422 ' HA ' ' HB2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.98 -23.85 13.43 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.493 1.786 . . . . 0.0 110.975 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -53.43 -34.81 59.27 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.524 1.14 . . . . 0.0 110.287 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -83.9 -23.71 51.61 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.49 1.119 . . . . 0.0 111.003 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.422 ' HB2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -61.98 86.36 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.469 0.746 . . . . 0.0 110.268 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 11.0 t -131.26 157.2 43.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.148 . . . . 0.0 110.395 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.481 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 1.5 m-85 -142.83 162.71 34.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 1.158 . . . . 0.0 110.993 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -131.08 174.85 9.61 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 0.0 109.269 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -140.56 118.3 11.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 109.328 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.427 ' HD1' ' HG ' ' A' ' 35' ' ' CYS . 87.0 m-85 -119.39 -177.74 3.43 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.536 1.147 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 5.4 mt-10 -84.27 -59.08 2.5 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.453 ' CB ' ' OD1' ' A' ' 33' ' ' ASN . 3.3 m -117.04 176.76 4.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.53 1.144 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.499 HG13 ' CE ' ' A' ' 36' ' ' MET . 1.3 t -66.62 -52.9 40.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.559 ' CB ' HD13 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -39.89 -49.31 2.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 109.31 179.964 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.1 mm-40 -55.27 -44.8 75.94 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.259 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.625 ' SG ' HG22 ' A' ' 11' ' ' THR . 18.1 m -59.61 -48.7 80.65 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 108.318 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.58 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.9 mmt -51.76 -59.0 4.79 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.461 1.101 . . . . 0.0 110.995 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.501 ' OE1' ' CE ' ' A' ' 41' ' ' LYS . 0.4 OUTLIER -37.14 -61.6 0.56 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 0.0 110.341 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -37.53 -51.92 1.84 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.506 1.129 . . . . 0.0 111.0 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' HA ' ' CE ' ' A' ' 42' ' ' MET . 57.4 t -48.62 -45.34 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.499 0.764 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.982 ' HB2' HD11 ' A' ' 98' ' ' ILE . 1.0 OUTLIER -74.22 -42.03 60.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 108.32 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.501 ' CE ' ' OE1' ' A' ' 37' ' ' GLU . 8.2 mmtt -52.72 -36.16 57.05 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.468 1.105 . . . . 0.0 109.343 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.479 ' CE ' ' HA ' ' A' ' 39' ' ' VAL . 0.3 OUTLIER -57.54 -66.86 0.39 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 0.0 110.967 179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.558 ' CE2' ' HA ' ' A' ' 64' ' ' LEU . 24.8 t80 -43.17 -51.87 5.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.969 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.417 ' C ' ' O ' ' A' ' 43' ' ' TYR . 4.9 mt-10 -37.41 -50.24 1.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 110.326 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -48.8 -64.78 0.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 0.0 110.315 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -49.16 -23.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.497 1.123 . . . . 0.0 109.631 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.573 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.7 mp -83.1 -48.14 10.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 109.305 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.422 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.3 OUTLIER -38.22 -60.37 0.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.283 -179.981 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.61 -40.51 59.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 110.297 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.479 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -70.55 -41.45 72.48 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.7 m-80 -117.97 100.43 52.06 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -50.29 0.13 Allowed 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.487 1.783 . . . . 0.0 110.973 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -58.67 -35.22 72.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 109.341 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 2.2 m -43.11 101.93 0.26 Allowed Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.501 1.126 . . . . 0.0 110.028 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -46.57 0.23 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.461 1.769 . . . . 0.0 111.053 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 43.3 t -118.91 -0.55 11.17 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.967 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.81 167.84 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.511 1.132 . . . . 0.0 109.318 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -176.11 136.48 0.29 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 110.388 179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.573 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 6.9 p90 -170.13 -171.19 1.09 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.478 1.111 . . . . 0.0 111.039 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.97 142.22 28.0 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 109.293 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.546 HD11 HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -56.34 -40.48 66.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 0.0 109.257 -179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.85 -27.79 63.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.103 . . . . 0.0 110.029 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 9.3 mm100 -72.72 -19.51 61.38 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 0.0 110.332 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.858 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -83.95 -44.15 14.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.466 1.104 . . . . 0.0 109.29 -179.945 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.593 ' CD2' ' HB2' ' A' ' 95' ' ' LYS . 16.4 m-30 -65.67 -10.36 35.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -59.65 -25.79 64.98 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.546 1.154 . . . . 0.0 109.3 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.415 ' CE1' HD21 ' A' ' 71' ' ' LEU . 0.1 OUTLIER -96.4 -10.66 27.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.543 1.152 . . . . 0.0 110.978 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.444 HD12 ' CD1' ' A' ' 65' ' ' PHE . 2.3 mt -78.08 -43.22 28.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 109.312 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -73.76 -18.21 61.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.529 1.143 . . . . 0.0 109.301 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -72.87 -40.96 65.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.415 HD21 ' CE1' ' A' ' 67' ' ' PHE . 96.4 mt -47.28 157.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.701 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -68.66 -33.36 73.85 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.554 1.159 . . . . 0.0 109.319 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.7 t70 174.06 110.12 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 3.4 tp -105.29 129.07 53.73 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.499 ' C ' HD11 ' A' ' 94' ' ' ILE . 68.8 m -136.83 178.58 6.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 110.039 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.443 ' O ' HD13 ' A' ' 77' ' ' LEU . 2.9 t -156.35 147.61 22.37 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 108.302 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.543 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.3 mm? -117.03 131.16 57.01 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.468 HG22 ' CG2' ' A' ' 32' ' ' VAL . 73.2 t -118.68 123.43 71.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.137 . . . . 0.0 109.317 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.521 ' CD2' ' HA ' ' A' ' 9' ' ' SER . 1.3 t80 -84.44 112.82 20.72 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 110.988 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.49 ' CZ ' ' HB3' ' A' ' 80' ' ' ARG . 5.6 ptp180 -113.5 115.95 28.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.534 1.147 . . . . 0.0 110.245 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -68.71 -20.03 64.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -51.35 -47.64 62.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 0.0 109.299 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 34.3 p -118.88 -7.34 10.46 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 110.388 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.447 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.3 mm-40 59.43 64.95 1.24 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 0.0 110.296 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 4.5 t -164.38 161.0 21.38 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 110.409 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.543 ' HD2' HD12 ' A' ' 77' ' ' LEU . 41.0 p90 -105.24 113.75 27.53 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.132 . . . . 0.0 110.992 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -81.48 113.4 41.68 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.523 1.14 . . . . 0.0 110.255 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.488 ' HA ' ' CD1' ' A' ' 77' ' ' LEU . 18.5 Cg_endo -74.99 107.94 2.6 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.498 1.788 . . . . 0.0 111.026 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.776 ' CD2' ' CZ2' ' A' ' 93' ' ' TRP . 26.4 m-85 -97.62 160.38 14.35 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.11 . . . . 0.0 111.007 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -95.61 172.14 8.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.481 1.113 . . . . 0.0 109.351 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.448 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.8 OUTLIER -63.02 -26.57 68.91 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.488 1.118 . . . . 0.0 109.287 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.459 ' O ' ' CG ' ' A' ' 96' ' ' GLU . 0.3 OUTLIER -73.89 -15.24 61.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.549 1.156 . . . . 0.0 109.329 179.98 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.776 ' CZ2' ' CD2' ' A' ' 89' ' ' TYR . 19.9 t90 -93.75 -21.71 19.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 107.993 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.746 ' O ' HG22 ' A' ' 98' ' ' ILE . 44.4 mt -83.7 -53.36 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.561 1.163 . . . . 0.0 109.311 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.593 ' HB2' ' CD2' ' A' ' 65' ' ' PHE . 10.9 ptpt -53.83 -19.6 4.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.278 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.913 ' O ' HG23 ' A' ' 100' ' ' VAL . 31.8 mm-40 -80.84 -46.54 15.16 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.135 . . . . 0.0 110.302 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -64.87 -63.01 1.22 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.32 179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.982 HD11 ' HB2' ' A' ' 40' ' ' CYS . 13.4 tt -39.16 -55.46 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.512 ' CD2' HG21 ' A' ' 61' ' ' ILE . 1.8 t80 -48.56 -46.59 39.25 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 111.0 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.913 HG23 ' O ' ' A' ' 96' ' ' GLU . 16.7 t -70.24 -36.22 66.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.329 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.559 HD13 ' CB ' ' A' ' 33' ' ' ASN . 0.2 OUTLIER -54.43 -29.1 48.2 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 -179.989 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.705 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -82.79 -31.97 27.93 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.552 1.157 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.473 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 6.2 mmm180 -57.54 -55.15 38.51 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.495 1.122 . . . . 0.0 110.272 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.437 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 0.0 OUTLIER -69.55 -48.34 60.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.287 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.437 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.8 OUTLIER -43.1 -32.88 0.76 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.301 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -70.7 -82.55 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.556 1.16 . . . . 0.0 109.279 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 34.3 mt-30 -148.16 -68.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.458 1.099 . . . . 0.0 110.281 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 71.62 -59.26 0.56 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 58.45 59.97 2.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.441 1.088 . . . . 0.0 109.302 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -116.18 60.93 0.41 Allowed Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.506 1.129 . . . . 0.0 110.992 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.516 0 O-C-N 124.506 0.768 . . . . 0.0 109.29 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.009 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 t -77.85 -58.72 3.11 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.536 0.786 . . . . 0.0 110.038 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -48.12 131.31 16.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.46 1.1 . . . . 0.0 110.325 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.83 -158.27 8.43 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.552 1.158 . . . . 0.0 110.965 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -134.18 142.98 47.62 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 0.767 . . . . 0.0 109.28 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -164.62 157.63 17.1 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.114 . . . . 0.0 109.327 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 80.5 m 55.78 165.2 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.535 1.147 . . . . 0.0 110.421 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.48 172.86 6.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.487 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 66.1 m 59.2 162.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.978 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.487 ' CG ' ' O ' ' A' ' 9' ' ' SER . 10.9 m170 -168.59 179.5 4.28 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.582 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.636 ' OG1' HG22 ' A' ' 32' ' ' VAL . 6.6 m -97.94 147.82 24.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.549 1.156 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.866 HG22 ' CD1' ' A' ' 14' ' ' LEU . 22.9 mt -112.07 128.04 68.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 0.0 109.314 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.729 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -119.45 123.81 44.97 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 0.0 109.261 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.979 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -131.29 -177.75 4.54 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 0.0 109.265 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.8 HG22 HD11 ' A' ' 74' ' ' LEU . 1.4 t -152.72 140.48 13.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.301 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.742 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 38.7 tp60 -141.03 95.38 7.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 110.307 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.512 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.01 -47.96 0.18 Allowed 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.519 1.8 . . . . 0.0 110.986 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.447 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 37.5 p -113.88 -149.22 0.44 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.126 . . . . 0.0 110.419 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.83 -33.83 6.62 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.0 mmt180 -64.05 153.7 84.28 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.32 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.99 -5.64 17.05 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.5 1.789 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -85.38 98.13 10.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.277 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 116.81 33.45 1.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 4.5 ppt_? -135.96 152.37 50.9 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.497 0.763 . . . . 0.0 110.355 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 8.9 t -169.94 161.51 8.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.535 1.147 . . . . 0.0 110.355 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.979 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.6 m-85 -119.49 173.0 7.24 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 111.005 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.24 174.45 13.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -154.66 120.73 5.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 40.7 m-85 -115.27 173.17 6.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.5 1.125 . . . . 0.0 111.019 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.421 ' HA ' ' NE2' ' A' ' 10' ' ' HIS . 19.0 mt-10 -77.14 -35.58 56.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.491 1.119 . . . . 0.0 110.278 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -122.4 156.55 33.75 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.987 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.636 HG22 ' OG1' ' A' ' 11' ' ' THR . 6.3 t -67.05 -46.59 84.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.484 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 0.8 OUTLIER -50.08 -43.34 51.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.42 ' HG2' ' ND2' ' A' ' 33' ' ' ASN . 7.8 mm-40 -53.25 -43.15 67.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 110.323 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 74.3 m -55.29 -56.13 23.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.487 1.117 . . . . 0.0 108.327 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.429 ' HG2' ' N ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -45.27 -50.88 11.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.115 . . . . 0.0 110.983 -179.975 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -44.98 -49.51 11.16 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.509 1.131 . . . . 0.0 110.272 -179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -55.33 -27.27 46.66 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.108 . . . . 0.0 110.972 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.573 HG13 ' CE ' ' A' ' 42' ' ' MET . 48.1 t -76.69 -70.36 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.486 0.756 . . . . 0.0 109.31 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.507 ' SG ' HD22 ' A' ' 64' ' ' LEU . 43.2 t -40.52 -49.96 2.93 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.466 1.104 . . . . 0.0 108.31 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.431 ' O ' ' C ' ' A' ' 42' ' ' MET . 10.2 mmtp -39.04 -50.08 1.78 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.529 1.143 . . . . 0.0 109.282 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.573 ' CE ' HG13 ' A' ' 39' ' ' VAL . 49.3 mtm -34.4 -71.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 110.995 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.656 ' HB2' HD13 ' A' ' 64' ' ' LEU . 8.8 t80 -50.52 -53.63 28.55 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 111.005 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -44.29 -43.36 7.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 0.0 110.314 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -49.63 -48.14 49.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.462 1.101 . . . . 0.0 110.295 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . 0.406 ' O ' ' HD2' ' A' ' 49' ' ' ARG . 8.1 t60 -67.62 -19.98 65.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.507 1.13 . . . . 0.0 109.609 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.72 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.0 mp -86.12 -51.43 6.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.473 ' HG2' HD11 ' A' ' 57' ' ' ILE . 21.9 mttt -40.04 -57.05 1.73 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.483 1.114 . . . . 0.0 109.269 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . 0.406 ' HD2' ' O ' ' A' ' 46' ' ' HIS . 0.0 OUTLIER -48.86 -39.37 25.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.314 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.478 ' N ' ' O ' ' A' ' 47' ' ' LEU . 2.4 mmm -79.38 -36.77 38.72 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.456 1.097 . . . . 0.0 111.027 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.42 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -123.69 97.14 42.18 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 109.312 179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.433 ' C ' ' N ' ' A' ' 54' ' ' SER . 18.2 Cg_endo -74.99 -67.73 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.517 1.799 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.423 ' O ' ' C ' ' A' ' 54' ' ' SER . 7.2 p30 -41.56 -29.25 0.16 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.506 1.129 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.433 ' N ' ' C ' ' A' ' 52' ' ' PRO . 27.0 p -37.53 102.66 0.24 Allowed Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.013 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -46.88 0.22 Allowed 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.503 1.791 . . . . 0.0 110.985 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 44.9 t -121.07 -3.75 9.57 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 109.983 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.505 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 62.13 166.3 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.253 179.936 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.505 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.6 133.3 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.483 1.115 . . . . 0.0 110.399 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.72 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 3.1 p90 -160.46 -52.14 0.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.49 1.119 . . . . 0.0 110.978 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.5 ' CB ' ' O ' ' A' ' 59' ' ' TYR . 1.7 m-20 156.69 162.72 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.492 1.12 . . . . 0.0 109.253 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.581 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.2 OUTLIER -91.02 -39.77 12.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.476 1.11 . . . . 0.0 109.331 179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -71.12 -49.27 46.01 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 5.4 tt0 -49.24 -39.24 29.49 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 110.287 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.656 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -64.64 -49.63 70.27 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 109.344 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.469 ' CZ ' ' O ' ' A' ' 95' ' ' LYS . 17.6 m-30 -54.47 -22.75 13.64 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 52.1 t0 -57.34 -28.16 62.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.129 . . . . 0.0 109.312 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -84.21 -30.33 25.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.522 1.139 . . . . 0.0 111.064 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.704 ' HA ' HD12 ' A' ' 71' ' ' LEU . 14.8 mt -58.36 -35.53 54.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.538 1.149 . . . . 0.0 109.329 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.33 -48.02 68.78 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -42.99 -41.24 3.32 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 74' ' ' LEU . 12.3 mt -53.34 171.52 0.08 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.742 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -79.8 -46.16 17.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 109.289 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 21.2 t70 178.19 120.82 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.503 1.127 . . . . 0.0 109.26 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.937 HD13 HD13 ' A' ' 71' ' ' LEU . 1.1 tp -98.04 142.38 29.83 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.6 m -145.29 177.12 9.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.594 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 1.5 p -158.25 163.97 36.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.552 1.157 . . . . 0.0 108.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.515 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.3 mm? -123.13 116.49 23.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 1.105 . . . . 0.0 109.307 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 51.1 t -106.08 127.21 61.41 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.35 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.598 ' OH ' ' HB2' ' A' ' 81' ' ' ALA . 14.3 t80 -80.51 144.42 32.52 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.149 . . . . 0.0 111.003 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.5 ' CZ ' ' OG1' ' A' ' 83' ' ' THR . 0.0 OUTLIER -142.78 81.15 1.72 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 110.329 -179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.598 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -44.45 -29.11 0.65 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.553 1.158 . . . . 0.0 109.315 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -42.41 -43.2 3.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.5 ' OG1' ' CZ ' ' A' ' 80' ' ' ARG . 80.8 p -125.22 0.57 7.79 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 0.0 110.42 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 52.08 74.67 0.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.538 1.149 . . . . 0.0 110.316 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 12.0 t -165.32 175.37 9.24 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 1.111 . . . . 0.0 110.413 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.531 ' CG ' ' O ' ' A' ' 86' ' ' TYR . 26.2 p90 -118.6 116.43 26.61 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.515 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -92.14 113.68 59.85 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 110.367 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 113.53 3.81 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.521 1.801 . . . . 0.0 110.997 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.515 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 16.0 m-30 -100.34 178.95 4.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.474 1.109 . . . . 0.0 111.01 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 13.1 m120 -101.15 -169.91 1.76 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.51 1.131 . . . . 0.0 109.317 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.858 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.9 OUTLIER -82.81 -33.72 27.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.467 1.104 . . . . 0.0 109.318 179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -54.13 -34.43 60.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.528 1.142 . . . . 0.0 109.352 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.603 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 56.8 t90 -70.89 -31.36 67.99 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.495 1.122 . . . . 0.0 108.028 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.058 ' O ' HG22 ' A' ' 98' ' ' ILE . 10.8 mt -77.87 -53.76 13.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.333 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.559 ' HG2' HD13 ' A' ' 68' ' ' ILE . 38.1 mtmt -40.28 -29.32 0.08 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.65 ' O ' HG12 ' A' ' 100' ' ' VAL . 5.7 mm-40 -78.77 -63.63 1.37 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.305 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.603 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -45.19 -50.57 11.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 109.268 179.992 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.058 HG22 ' O ' ' A' ' 94' ' ' ILE . 6.2 tt -57.3 -41.37 78.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.517 1.136 . . . . 0.0 109.292 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.618 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -67.37 -57.42 6.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.65 HG12 ' O ' ' A' ' 96' ' ' GLU . 5.5 p -62.58 -25.11 37.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.435 1.084 . . . . 0.0 109.284 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.484 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.9 OUTLIER -56.95 -35.13 68.75 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.561 1.163 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.879 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -85.56 -33.65 21.67 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.317 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.481 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 4.3 mmm180 -55.9 -43.28 77.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.429 1.08 . . . . 0.0 110.341 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 4.5 ptm180 -76.54 -48.07 20.57 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.534 1.146 . . . . 0.0 110.294 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.459 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 3.2 mt-30 -44.8 -34.43 2.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.154 . . . . 0.0 110.32 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -51.36 -70.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.336 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 8.3 mm-40 -141.79 -75.29 0.3 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.298 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.557 ' O ' ' HB3' ' A' ' 109' ' ' ALA . 0.8 OUTLIER 72.44 -69.28 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 -179.971 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.557 ' HB3' ' O ' ' A' ' 108' ' ' GLN . . . 74.59 -58.75 0.57 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 0.0 109.278 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 96.08 91.44 1.79 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.504 1.127 . . . . 0.0 111.02 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 14.4 ttmt . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.333 179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.5 p -177.34 148.95 0.62 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.532 0.783 . . . . 0.0 110.016 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -122.0 137.18 54.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 110.304 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 111.33 -162.05 12.59 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.524 1.14 . . . . 0.0 110.959 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -167.14 109.03 0.66 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 109.363 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 55.69 95.86 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.341 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.7 t -146.16 147.33 31.39 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.418 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.1 ptt? -144.8 175.29 10.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.128 . . . . 0.0 111.04 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 16.9 m -131.9 125.45 31.73 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.986 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.4 m170 -124.39 -67.31 0.92 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 0.0 109.588 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.446 HG22 ' SG ' ' A' ' 35' ' ' CYS . 96.4 m -93.61 162.71 13.84 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.445 1.091 . . . . 0.0 110.391 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.867 HG22 ' CD1' ' A' ' 14' ' ' LEU . 28.7 mt -130.44 128.81 64.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.545 1.153 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.768 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.5 tm? -119.32 127.94 53.66 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 0.0 109.269 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.867 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -131.42 -179.61 5.46 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.306 179.994 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.804 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.4 t -156.35 131.05 1.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.276 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.649 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 34.9 tp60 -134.69 95.17 16.03 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.506 1.129 . . . . 0.0 110.272 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.747 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -75.02 -49.72 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.502 1.791 . . . . 0.0 110.989 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.433 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 70.7 p -113.64 -141.67 0.38 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 0.0 110.416 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.59 -38.79 3.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.276 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.3 mtt180 -46.82 146.76 2.5 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.318 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -5.38 16.72 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.472 1.775 . . . . 0.0 111.021 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -89.48 37.33 0.86 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.494 1.121 . . . . 0.0 110.32 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -170.96 33.83 0.15 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.513 1.133 . . . . 0.0 110.96 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -136.9 116.2 12.63 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.513 0.772 . . . . 0.0 110.299 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 12.0 t -142.05 144.86 33.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.464 1.103 . . . . 0.0 110.435 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.827 ' CD2' HD12 ' A' ' 14' ' ' LEU . 4.6 m-85 -112.74 152.87 28.58 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.438 1.086 . . . . 0.0 111.002 -179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.428 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -132.27 175.81 8.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -142.15 145.04 33.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.548 ' CD1' ' HA ' ' A' ' 35' ' ' CYS . 69.1 m-85 -134.75 -178.4 5.05 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 110.99 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -99.78 -30.13 12.24 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.118 . . . . 0.0 110.299 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -132.04 161.03 34.21 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.013 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.467 HG13 ' CE ' ' A' ' 36' ' ' MET . 2.2 t -66.47 -46.1 87.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.269 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.49 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 24.8 m-20 -49.72 -49.21 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 57.8 mm-40 -64.69 -36.94 85.89 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.482 1.114 . . . . 0.0 110.3 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.548 ' HA ' ' CD1' ' A' ' 29' ' ' TYR . 4.9 t -58.86 -54.03 51.69 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 0.0 108.254 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 1.015 ' SD ' HG23 ' A' ' 94' ' ' ILE . 2.6 tpp -66.01 -41.29 91.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 1.108 . . . . 0.0 111.013 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.3 tt0 -37.27 -58.51 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 0.0 110.299 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.412 ' O ' ' HB2' ' A' ' 41' ' ' LYS . . . -37.47 -57.49 1.47 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.531 1.145 . . . . 0.0 111.004 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.0 t -41.58 -61.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 0.757 . . . . 0.0 109.285 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 1.4 t -44.12 -48.01 9.04 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.501 1.125 . . . . 0.0 108.31 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.44 ' O ' ' C ' ' A' ' 42' ' ' MET . 5.2 mttt -48.72 -57.86 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.804 ' SD ' HG21 ' A' ' 15' ' ' VAL . 35.4 mtm -34.76 -66.95 0.16 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.474 1.109 . . . . 0.0 111.026 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.551 ' CB ' HD13 ' A' ' 64' ' ' LEU . 68.8 t80 -54.96 -55.5 30.03 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 111.036 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' O ' ' N ' ' A' ' 48' ' ' LYS . 2.0 mt-10 -40.98 -46.27 2.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.523 1.139 . . . . 0.0 110.301 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . 0.408 ' C ' ' N ' ' A' ' 47' ' ' LEU . 4.6 mm-40 -47.59 -65.89 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.46 1.1 . . . . 0.0 110.24 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -46.49 -25.24 0.64 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 109.622 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.669 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.8 mp -83.71 -47.18 11.46 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.542 1.151 . . . . 0.0 109.329 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -38.82 -60.24 0.86 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.55 1.156 . . . . 0.0 109.316 179.957 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.94 -40.57 57.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.524 1.14 . . . . 0.0 110.314 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.459 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -71.03 -40.67 71.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 0.0 111.063 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.417 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 3.1 m-80 -117.6 103.7 50.5 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.284 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -56.65 0.06 OUTLIER 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.469 1.773 . . . . 0.0 110.98 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -53.51 -35.57 60.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.417 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.5 OUTLIER -40.45 100.27 0.22 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 0.0 110.025 179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -41.66 0.63 Allowed 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.52 1.8 . . . . 0.0 111.012 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 41.4 t -125.43 1.11 7.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.531 1.145 . . . . 0.0 109.945 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.59 167.87 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.533 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -173.92 132.52 0.43 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 110.417 179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.669 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 14.4 p90 -170.59 -169.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.51 1.131 . . . . 0.0 111.009 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.427 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 69.6 m-20 -79.63 112.44 16.89 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 0.0 109.331 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.579 HD11 ' HA ' ' A' ' 99' ' ' TYR . 1.1 tt -45.64 -32.58 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.551 1.157 . . . . 0.0 109.279 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -72.43 -46.71 53.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.12 . . . . 0.0 110.007 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.427 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 1.5 tp60 -53.22 -32.27 47.32 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.928 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -62.94 -39.06 93.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.297 -179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.609 ' HA ' HD12 ' A' ' 68' ' ' ILE . 16.3 m-30 -67.3 -27.57 67.29 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 24.4 m-20 -51.45 -22.24 2.92 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.542 1.152 . . . . 0.0 109.276 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -90.93 -29.01 17.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.445 1.091 . . . . 0.0 110.975 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.609 HD12 ' HA ' ' A' ' 65' ' ' PHE . 5.9 mt -64.47 -42.88 96.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 109.34 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.16 -37.21 86.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -53.32 -44.31 68.32 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.455 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 96.5 mt -46.8 159.45 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -71.34 -28.44 64.07 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.559 1.162 . . . . 0.0 109.315 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 3.0 t0 164.97 113.06 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 109.276 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.433 HD12 ' H ' ' A' ' 75' ' ' SER . 11.0 tp -100.49 143.7 30.36 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.433 ' H ' HD12 ' A' ' 74' ' ' LEU . 1.4 m -144.45 179.3 7.35 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 0.0 109.989 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.586 ' SG ' ' CE3' ' A' ' 93' ' ' TRP . 3.3 p -157.71 160.97 38.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 108.275 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.562 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.4 mm? -125.41 115.9 21.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 0.0 109.283 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.474 HG21 ' CZ2' ' A' ' 93' ' ' TRP . 70.5 t -98.14 124.23 51.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -90.27 115.39 27.44 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.509 1.131 . . . . 0.0 111.009 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' O ' ' N ' ' A' ' 84' ' ' GLN . 11.3 ptm180 -112.96 120.6 41.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.413 1.07 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -70.87 -26.94 63.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.494 1.121 . . . . 0.0 109.293 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 29.1 m-20 -40.88 -51.33 3.19 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 109.307 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 22.1 p -122.91 -1.68 8.83 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 0.0 110.42 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.418 ' N ' ' O ' ' A' ' 80' ' ' ARG . 6.6 mm-40 55.82 68.77 0.81 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.532 1.145 . . . . 0.0 110.329 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 10.5 t -155.89 160.93 40.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.542 1.151 . . . . 0.0 110.436 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.562 ' HD2' HD12 ' A' ' 77' ' ' LEU . 34.3 p90 -106.39 119.67 39.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 0.0 110.979 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.614 ' HB3' ' CE1' ' A' ' 89' ' ' TYR . 3.2 mm100 -97.54 115.97 65.79 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.311 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.452 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.03 108.52 2.74 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.544 1.813 . . . . 0.0 110.995 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.614 ' CE1' ' HB3' ' A' ' 87' ' ' GLN . 22.0 m-30 -98.79 -179.62 4.35 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.502 1.126 . . . . 0.0 111.021 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -107.53 163.93 12.64 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 109.308 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.878 ' HA ' HD12 ' A' ' 94' ' ' ILE . 1.1 pttt -52.82 -35.95 57.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -51.44 -39.04 56.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.503 1.127 . . . . 0.0 109.278 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.586 ' CE3' ' SG ' ' A' ' 76' ' ' CYS . 31.9 t90 -70.9 -26.66 63.32 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.562 1.164 . . . . 0.0 108.006 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 1.074 ' O ' HG22 ' A' ' 98' ' ' ILE . 29.5 mt -79.93 -56.14 7.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.528 1.142 . . . . 0.0 109.344 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.5 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 36.6 mtmt -40.16 -29.12 0.07 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.482 1.114 . . . . 0.0 109.302 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.579 ' O ' HG12 ' A' ' 100' ' ' VAL . 6.1 mm-40 -76.05 -65.13 0.95 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.569 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -46.75 -55.03 8.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.447 1.092 . . . . 0.0 109.316 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 1.074 HG22 ' O ' ' A' ' 94' ' ' ILE . 6.9 tt -50.41 -44.76 24.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.5 1.125 . . . . 0.0 109.326 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.627 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.1 OUTLIER -63.88 -62.78 1.42 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.51 1.131 . . . . 0.0 111.02 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.627 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -58.1 -24.07 23.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.527 1.142 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.525 ' N ' ' O ' ' A' ' 97' ' ' LYS . 1.0 OUTLIER -62.29 -37.72 86.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.525 1.14 . . . . 0.0 109.32 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.622 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.0 OUTLIER -81.6 -32.29 32.12 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.46 1.1 . . . . 0.0 109.316 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 28.0 mmm180 -56.2 -64.4 0.87 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.288 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.417 ' O ' ' C ' ' A' ' 105' ' ' GLN . 0.9 OUTLIER -61.76 -45.71 92.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.446 1.091 . . . . 0.0 110.268 -179.97 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 104' ' ' ARG . 0.2 OUTLIER -37.02 -38.26 0.18 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.533 1.146 . . . . 0.0 110.282 -179.996 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.92 -77.16 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 -143.67 -94.6 0.11 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.447 1.092 . . . . 0.0 110.319 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 3.1 mm-40 51.01 -169.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.286 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 55.99 84.7 0.08 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.284 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -72.98 59.33 1.79 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 110.99 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.9 pttp . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 109.311 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 110.952 -0.859 . . . . 0.0 110.952 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 54.3 m -146.34 113.92 6.38 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.465 0.744 . . . . 0.0 110.0 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 7.9 tt0 -137.36 125.8 23.46 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.528 1.143 . . . . 0.0 110.289 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 142.97 -134.86 6.16 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.515 1.134 . . . . 0.0 110.961 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 53.54 98.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.513 0.773 . . . . 0.0 109.272 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -142.14 106.53 4.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.499 1.125 . . . . 0.0 109.349 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 94.3 m -121.36 152.23 39.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 1.105 . . . . 0.0 110.337 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.5 mtm -102.07 157.14 17.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 111.009 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 15.6 p -115.99 113.32 23.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 109.992 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 6.5 m-70 -122.16 -66.25 1.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 109.593 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 74.0 m -91.37 141.57 28.63 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 0.0 110.393 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.748 HG22 ' CD1' ' A' ' 14' ' ' LEU . 44.6 mt -111.27 126.88 68.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.494 1.121 . . . . 0.0 109.29 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.595 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.7 OUTLIER -120.31 126.28 50.16 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.461 1.101 . . . . 0.0 109.321 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.764 HD22 ' H ' ' A' ' 14' ' ' LEU . 0.0 OUTLIER -126.54 -178.38 4.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 0.0 109.241 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -152.7 130.18 2.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 109.292 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.676 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 38.9 tp60 -134.12 95.29 16.97 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 110.3 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.601 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.96 -49.56 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.525 1.803 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.456 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 61.9 p -112.84 -151.32 0.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.399 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -107.34 -40.37 5.4 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 0.0 109.296 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.7 mmt180 -57.45 153.88 26.25 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.523 1.14 . . . . 0.0 110.29 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.475 ' CA ' ' HD3' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.01 -7.48 19.2 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.497 1.788 . . . . 0.0 110.992 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.96 89.89 1.12 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 110.32 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.42 34.99 1.04 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.523 1.139 . . . . 0.0 111.02 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.475 ' HD3' ' CA ' ' A' ' 21' ' ' PRO . 23.2 ptt85 -112.19 134.44 53.74 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 110.279 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.2 t -163.54 158.66 21.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.113 . . . . 0.0 110.4 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 26' ' ' TYR . 0.4 OUTLIER -134.58 163.98 28.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.531 1.144 . . . . 0.0 110.951 -179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.429 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -134.64 170.6 15.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -133.23 134.81 44.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.406 ' CD2' ' HA ' ' A' ' 35' ' ' CYS . 79.7 m-85 -130.22 178.0 6.89 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 0.0 110.961 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -101.92 -44.02 5.62 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.291 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -111.68 159.65 18.01 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 110.022 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.7 t -62.71 -50.58 79.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 109.292 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.641 ' HB3' HD13 ' A' ' 101' ' ' LEU . 46.0 m-20 -51.05 -50.76 58.01 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.494 1.121 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.0 mm-40 -48.66 -36.44 16.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.438 1.086 . . . . 0.0 110.293 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.406 ' HA ' ' CD2' ' A' ' 29' ' ' TYR . 1.6 t -72.13 -38.11 69.33 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 108.274 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.897 ' SD ' HG23 ' A' ' 94' ' ' ILE . 16.3 mmt -61.15 -49.71 76.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 111.003 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.467 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.1 mt-10 -37.69 -65.04 0.35 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.462 1.101 . . . . 0.0 110.293 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' LYS . . . -36.24 -57.54 1.11 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.563 1.165 . . . . 0.0 111.017 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.536 HG21 HG21 ' A' ' 94' ' ' ILE . 98.1 t -42.49 -46.23 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.457 0.74 . . . . 0.0 109.306 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.565 ' HB2' HD11 ' A' ' 98' ' ' ILE . 8.5 t -70.61 -38.53 73.98 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 0.0 108.273 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 38' ' ' GLY . 19.0 mttm -53.37 -51.15 63.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.431 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -36.56 -63.04 0.43 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 0.0 110.989 179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.623 ' HB2' HD13 ' A' ' 64' ' ' LEU . 39.7 t80 -61.52 -45.95 92.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.491 1.12 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.407 ' HB2' ' O ' ' A' ' 41' ' ' LYS . 3.4 mt-10 -42.66 -41.0 2.95 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 0.0 110.253 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -50.91 -62.91 1.32 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.123 . . . . 0.0 110.312 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 9.1 t60 -50.75 -22.05 1.93 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.107 . . . . 0.0 109.603 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.509 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 5.9 mp -84.81 -49.17 8.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.518 1.136 . . . . 0.0 109.278 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.413 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.71 -62.38 0.62 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.62 -40.6 28.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.514 1.134 . . . . 0.0 110.36 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.443 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.9 OUTLIER -72.29 -40.87 67.23 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 111.008 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.462 ' CB ' ' HB3' ' A' ' 54' ' ' SER . 1.2 m-80 -122.22 101.68 40.97 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -60.82 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.506 1.793 . . . . 0.0 111.006 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 13.7 m-80 -46.72 -31.46 2.96 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.494 1.122 . . . . 0.0 109.264 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.462 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.1 p -40.63 101.71 0.25 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.998 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -45.86 0.26 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 111.037 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 72.0 m -123.68 -1.47 8.46 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 0.0 110.01 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 58' ' ' THR . 0.7 OUTLIER 66.44 167.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 109.357 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.526 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.34 128.43 0.21 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.369 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.509 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 16.9 p90 -172.57 177.99 2.83 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.107 . . . . 0.0 110.964 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -65.95 164.61 14.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.103 . . . . 0.0 109.292 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.884 HD11 HD12 ' A' ' 102' ' ' LEU . 1.5 mt -91.5 -46.37 14.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 4.8 t -53.13 -31.58 43.03 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.92 -40.28 96.12 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.116 . . . . 0.0 110.314 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -76.92 -46.38 24.52 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.532 1.145 . . . . 0.0 109.301 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.701 ' CE2' ' CG2' ' A' ' 61' ' ' ILE . 14.2 m-30 -59.01 -24.52 62.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 110.978 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -62.71 -24.36 67.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -91.93 -18.68 23.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.965 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.469 HD13 ' HG2' ' A' ' 95' ' ' LYS . 21.5 mt -67.76 -49.04 73.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 0.0 109.341 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -63.4 -30.71 71.79 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -59.6 -39.86 85.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.32 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 72.0 mt -49.0 173.71 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 109.289 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.676 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -86.06 -31.11 22.12 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 4.5 t70 168.64 107.14 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 9.6 tp -102.03 137.67 40.0 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.313 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.0 m -148.32 179.57 7.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 0.0 110.008 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.552 ' SG ' HD11 ' A' ' 94' ' ' ILE . 6.7 p -154.27 160.94 42.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.113 . . . . 0.0 108.32 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 76' ' ' CYS . 2.6 mm? -122.65 125.54 45.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.476 HG21 ' CH2' ' A' ' 93' ' ' TRP . 20.7 t -103.77 132.02 51.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.455 1.097 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -94.62 113.25 25.03 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.456 1.097 . . . . 0.0 110.974 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 9.8 ptt180 -109.71 112.57 24.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.67 -18.46 20.68 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 17.1 t0 -49.71 -52.77 28.94 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 44.8 p -128.0 15.16 6.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.338 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 39.46 61.42 1.37 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.566 1.167 . . . . 0.0 110.294 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 14.4 t -135.85 -160.39 1.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.123 . . . . 0.0 110.378 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.431 ' HD2' HD12 ' A' ' 77' ' ' LEU . 15.8 p90 -134.36 133.9 41.15 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.508 1.13 . . . . 0.0 111.038 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.588 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.6 mm100 -105.36 111.84 64.93 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 0.0 110.285 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 108.39 2.71 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.449 1.762 . . . . 0.0 110.976 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.588 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 73.4 m-85 -107.97 147.16 31.45 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.467 1.104 . . . . 0.0 110.966 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.5 m120 -77.55 168.09 20.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.274 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.775 ' HA ' HD12 ' A' ' 94' ' ' ILE . 7.0 ptmt -60.76 -34.87 75.12 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.457 1.098 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -56.92 -49.26 76.14 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.52 1.137 . . . . 0.0 109.286 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.599 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 75.2 t90 -52.05 -42.32 63.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 107.994 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.906 ' O ' HG22 ' A' ' 98' ' ' ILE . 6.8 mt -68.15 -54.44 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.505 1.128 . . . . 0.0 109.336 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.473 ' HD2' ' CG ' ' A' ' 65' ' ' PHE . 32.5 mtmt -37.87 -32.14 0.06 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.531 1.144 . . . . 0.0 109.238 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.454 ' N ' ' C ' ' A' ' 94' ' ' ILE . 39.8 mm-40 -78.33 -59.71 2.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.333 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.599 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -50.18 -51.41 44.07 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.509 1.13 . . . . 0.0 109.287 179.991 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.906 HG22 ' O ' ' A' ' 94' ' ' ILE . 14.1 tt -55.27 -48.94 76.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.458 ' CD1' ' C ' ' A' ' 99' ' ' TYR . 3.8 t80 -60.21 -50.45 73.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.994 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . . . . . . . . . 63.1 t -67.98 -11.67 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.331 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD13 ' HB3' ' A' ' 33' ' ' ASN . 0.1 OUTLIER -82.92 -23.94 33.3 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.528 1.142 . . . . 0.0 109.261 -179.948 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.884 HD12 HD11 ' A' ' 61' ' ' ILE . 0.5 OUTLIER -88.4 -51.12 5.9 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.547 1.154 . . . . 0.0 109.267 -179.936 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 102' ' ' LEU . 11.4 mmm180 -35.57 -42.09 0.22 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.527 1.142 . . . . 0.0 110.29 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.404 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 7.7 ptm180 -78.27 -44.35 25.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.475 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.9 mm-40 -42.21 -37.48 1.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.283 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -53.02 -81.65 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.531 1.145 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 -142.01 -75.36 0.29 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 110.314 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 1.5 tm0? 74.6 -72.97 0.1 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 110.307 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 48.87 65.64 1.31 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.452 1.095 . . . . 0.0 109.29 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 41.77 47.27 5.0 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.557 1.161 . . . . 0.0 111.018 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 109.326 179.993 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 83.2 p -169.5 150.69 4.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 0.752 . . . . 0.0 110.018 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -174.42 165.11 3.91 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.539 1.149 . . . . 0.0 110.261 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -124.37 -86.93 0.73 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.508 1.13 . . . . 0.0 111.022 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . 66.51 173.05 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.456 0.739 . . . . 0.0 109.288 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -151.44 168.06 26.03 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.293 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 9.9 t -73.49 144.34 46.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.458 1.099 . . . . 0.0 110.409 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.3 mmt -131.56 -179.05 5.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.485 1.116 . . . . 0.0 111.044 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' HIS . 0.5 OUTLIER -55.16 -44.55 75.27 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 110.019 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 9' ' ' SER . 6.7 m80 54.68 104.09 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.52 1.138 . . . . 0.0 109.596 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.7 m -123.59 163.03 21.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.119 . . . . 0.0 110.39 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.825 HG22 ' CD1' ' A' ' 14' ' ' LEU . 65.5 mt -123.15 119.24 57.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.108 . . . . 0.0 109.299 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.656 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.3 tm? -119.24 123.64 44.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.292 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.923 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -126.46 -170.84 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.452 1.095 . . . . 0.0 109.298 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.4 t -157.12 123.59 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.48 1.112 . . . . 0.0 109.319 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.859 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 24.6 tp60 -124.74 95.8 41.88 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.146 . . . . 0.0 110.296 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.474 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.3 Cg_endo -74.98 -47.75 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.486 1.782 . . . . 0.0 111.023 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 45.7 p -119.79 -140.94 0.35 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 110.404 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.68 -37.88 3.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.434 1.083 . . . . 0.0 109.326 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -51.68 153.86 3.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.492 1.12 . . . . 0.0 110.319 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HA ' ' NE ' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -74.97 -8.05 19.74 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.506 1.792 . . . . 0.0 111.013 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -74.83 84.03 2.17 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.504 1.128 . . . . 0.0 110.346 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 142.66 -42.89 1.08 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.113 . . . . 0.0 111.042 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' NE ' ' HA ' ' A' ' 21' ' ' PRO . 10.7 mtt180 -41.94 109.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.509 0.77 . . . . 0.0 110.325 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 2.8 t -143.06 143.82 32.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.125 . . . . 0.0 110.354 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.923 ' CD2' HD12 ' A' ' 14' ' ' LEU . 8.7 m-85 -119.05 168.49 10.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 110.984 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.5 175.77 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.505 1.128 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -149.81 121.58 8.11 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.465 1.103 . . . . 0.0 109.246 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.529 ' CD1' ' SG ' ' A' ' 35' ' ' CYS . 28.7 m-85 -121.02 -178.45 3.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 110.965 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 22.9 mt-10 -94.2 -21.38 19.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 0.0 110.304 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.06 179.24 6.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.972 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.6 t -90.52 -47.54 14.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -52.61 -38.98 61.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.36 -41.57 97.29 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 110.34 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.529 ' SG ' ' CD1' ' A' ' 29' ' ' TYR . 3.6 m -61.12 -44.77 96.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.521 1.138 . . . . 0.0 108.311 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.935 ' SD ' HG23 ' A' ' 94' ' ' ILE . 15.5 mmt -50.64 -50.36 54.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.455 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -37.3 -59.68 0.73 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 110.338 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -39.81 -39.85 1.45 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.426 1.079 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.459 ' N ' ' O ' ' A' ' 36' ' ' MET . 50.0 t -65.97 -47.55 84.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.51 0.77 . . . . 0.0 109.316 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.575 ' HB2' HD11 ' A' ' 98' ' ' ILE . 6.9 t -66.26 -34.76 78.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.117 . . . . 0.0 108.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 42' ' ' MET . 24.3 mmtt -57.34 -52.1 66.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 109.293 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.413 ' SD ' ' HA ' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -37.57 -66.24 0.26 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 111.008 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.783 ' HB2' HD13 ' A' ' 64' ' ' LEU . 11.9 t80 -53.03 -49.94 65.28 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 6.9 mt-10 -45.58 -48.44 14.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 110.274 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -49.36 -66.25 0.43 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.315 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.0 t60 -52.58 -20.49 3.03 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.608 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.7 ' CD2' ' CD1' ' A' ' 59' ' ' TYR . 4.1 mp -81.48 -49.86 10.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.347 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.21 -61.71 0.64 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 0.0 109.308 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -50.16 -41.36 49.01 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.489 1.118 . . . . 0.0 110.281 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.83 -42.08 74.09 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.992 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 54' ' ' SER . 2.3 m-80 -114.99 97.66 48.37 Favored Pre-proline 0 C--N 1.326 -0.456 0 O-C-N 124.483 1.115 . . . . 0.0 109.35 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -48.14 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.458 1.768 . . . . 0.0 110.975 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.5 p30 -63.52 -32.61 74.11 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 0.0 109.292 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.472 ' HB2' ' CB ' ' A' ' 51' ' ' ASN . 0.4 OUTLIER -42.0 103.49 0.31 Allowed Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 0.0 109.994 179.964 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -45.12 0.29 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.0 m -120.97 0.9 10.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.478 1.111 . . . . 0.0 110.007 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.542 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.22 168.17 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 0.0 109.325 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.542 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -176.52 133.43 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 110.427 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.7 ' CD1' ' CD2' ' A' ' 47' ' ' LEU . 31.1 p90 -174.91 157.22 2.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 0.0 110.994 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 m-20 -62.64 154.75 28.22 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.266 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.794 HD11 HD12 ' A' ' 102' ' ' LEU . 1.8 mt -72.49 -46.92 53.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.464 1.103 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.1 p -52.82 -26.77 15.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.139 . . . . 0.0 109.975 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.22 -42.69 65.45 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 110.31 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.783 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -71.25 -36.72 71.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.143 . . . . 0.0 109.297 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.59 ' CE2' HG23 ' A' ' 61' ' ' ILE . 14.6 m-30 -73.78 -23.74 59.74 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.149 . . . . 0.0 110.963 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -63.29 -21.56 66.33 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.564 1.165 . . . . 0.0 109.301 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -95.92 -19.7 19.33 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.541 1.151 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.488 HD12 ' CD1' ' A' ' 65' ' ' PHE . 22.9 mt -66.18 -32.65 59.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.325 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.79 -18.8 58.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.434 1.084 . . . . 0.0 109.302 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -72.34 -20.17 61.52 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 80.2 mt -71.37 161.59 30.82 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.33 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.859 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -70.46 -40.36 73.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.468 1.105 . . . . 0.0 109.342 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 29.2 t70 177.57 104.11 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.508 1.13 . . . . 0.0 109.317 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -98.94 127.39 44.85 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.6 m -139.43 178.76 6.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.508 ' SG ' ' CZ3' ' A' ' 93' ' ' TRP . 22.9 p -155.56 145.78 21.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 108.276 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.602 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.7 mm? -114.63 134.48 55.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.287 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.8 t -122.75 138.77 51.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.3 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 40.4 t80 -90.4 129.67 36.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 111.019 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.455 ' CG ' ' O ' ' A' ' 80' ' ' ARG . 7.9 ptm180 -124.09 104.55 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 110.303 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -57.95 -19.8 33.05 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.11 . . . . 0.0 109.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 24.0 t0 -47.66 -56.19 7.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 0.0 109.322 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 51.9 p -120.74 0.04 10.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.38 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.455 ' N ' ' O ' ' A' ' 80' ' ' ARG . 2.1 mt-30 57.33 79.41 0.19 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.459 1.099 . . . . 0.0 110.33 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.1 t -168.26 168.86 11.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.527 1.142 . . . . 0.0 110.413 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.602 ' HD2' HD12 ' A' ' 77' ' ' LEU . 36.6 p90 -105.09 113.57 27.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.556 1.16 . . . . 0.0 110.982 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.602 ' OE1' ' CE1' ' A' ' 89' ' ' TYR . 4.3 tm0? -84.67 113.22 47.96 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.275 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.499 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.0 118.75 5.38 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 0.0 110.977 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.602 ' CE1' ' OE1' ' A' ' 87' ' ' GLN . 49.6 m-85 -119.09 119.9 35.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 110.967 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -54.07 -175.61 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.476 1.11 . . . . 0.0 109.316 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.883 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.0 OUTLIER -71.85 -40.28 69.11 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.328 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -50.52 -32.98 19.87 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 0.0 109.278 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.564 ' CE2' ' CE ' ' A' ' 97' ' ' LYS . 80.5 t90 -70.11 -43.87 70.14 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 108.026 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.935 HG23 ' SD ' ' A' ' 36' ' ' MET . 15.5 mt -61.89 -58.15 8.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 0.0 109.293 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.476 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 34.3 mtmt -37.06 -38.26 0.19 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 0.0 109.285 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.816 ' O ' HG23 ' A' ' 100' ' ' VAL . 36.8 mm-40 -69.41 -53.11 21.01 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 110.323 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.564 ' CE ' ' CE2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -58.34 -62.95 1.46 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.49 1.119 . . . . 0.0 109.261 179.983 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.745 HG22 ' O ' ' A' ' 94' ' ' ILE . 15.0 tt -42.83 -50.96 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 0.0 109.294 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.505 ' CE1' ' HD3' ' A' ' 103' ' ' ARG . 2.7 t80 -56.69 -49.22 75.76 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.467 1.105 . . . . 0.0 111.0 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.816 HG23 ' O ' ' A' ' 96' ' ' GLU . 48.0 t -67.65 -12.76 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.117 . . . . 0.0 109.284 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 36' ' ' MET . 0.1 OUTLIER -83.92 -23.77 31.04 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.794 HD12 HD11 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -88.14 -51.13 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.464 1.103 . . . . 0.0 109.332 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 99' ' ' TYR . 15.3 mmm180 -34.08 -46.43 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 110.299 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.415 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 8.5 ptm180 -74.22 -46.62 40.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.521 1.138 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.456 ' N ' ' O ' ' A' ' 102' ' ' LEU . 2.6 mt-30 -39.85 -51.23 2.43 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 110.302 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -66.82 -92.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.566 1.166 . . . . 0.0 109.324 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -126.32 -101.92 0.36 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 73.34 -71.27 0.14 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.3 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -166.02 105.17 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 0.0 109.282 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -97.0 64.5 0.99 Allowed Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.517 1.136 . . . . 0.0 110.994 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.494 0.761 . . . . 0.0 109.298 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -136.13 101.33 4.67 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 0.764 . . . . 0.0 109.97 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -111.07 119.15 38.07 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.501 1.126 . . . . 0.0 110.307 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 69.37 153.35 0.7 Allowed Glycine 0 CA--C 1.529 0.948 0 O-C-N 124.501 1.126 . . . . 0.0 111.01 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -132.27 74.3 1.57 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 0.752 . . . . 0.0 109.35 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -131.69 100.31 5.07 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 109.289 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 74.2 p -110.35 118.68 36.96 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 1.162 . . . . 0.0 110.402 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtm -47.21 158.8 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 111.021 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.541 ' O ' ' CD2' ' A' ' 10' ' ' HIS . 33.8 t -140.14 -69.67 0.4 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.134 . . . . 0.0 109.981 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.597 ' CD2' ' CD2' ' A' ' 79' ' ' TYR . 21.5 m170 -150.25 -73.79 0.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.56 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.6 m -93.38 150.16 20.68 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.444 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.876 HG22 HD11 ' A' ' 14' ' ' LEU . 14.5 mt -121.62 126.02 74.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.484 1.115 . . . . 0.0 109.316 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.91 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.9 tm? -121.44 127.44 51.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.3 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.91 HD13 ' C ' ' A' ' 13' ' ' LEU . 0.0 OUTLIER -128.31 -172.31 2.67 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.505 1.128 . . . . 0.0 109.319 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.628 HG21 ' SD ' ' A' ' 42' ' ' MET . 0.9 OUTLIER -158.74 122.29 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.327 -179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 40.5 tp60 -125.21 96.33 39.68 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 0.0 110.281 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.747 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -75.03 -51.29 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.485 1.782 . . . . 0.0 110.996 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.441 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 66.1 p -108.99 -147.39 0.41 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.555 1.16 . . . . 0.0 110.39 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.25 -29.34 8.94 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 1.143 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 59.4 mmt-85 -64.34 148.79 95.68 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.295 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.414 ' HA ' ' HD3' ' A' ' 24' ' ' ARG . 18.2 Cg_endo -75.05 -9.12 20.56 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.495 1.787 . . . . 0.0 110.979 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -75.09 95.89 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 110.338 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 132.25 -8.75 5.37 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.485 1.116 . . . . 0.0 111.004 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.414 ' HD3' ' HA ' ' A' ' 21' ' ' PRO . 18.0 ptt180 -79.59 133.93 36.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.485 0.756 . . . . 0.0 110.346 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.411 ' O ' ' HA ' ' A' ' 14' ' ' LEU . 14.7 t -147.47 153.71 39.89 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.407 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.585 ' HD1' HD12 ' A' ' 14' ' ' LEU . 11.0 m-85 -126.5 148.03 49.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 110.949 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -124.61 176.57 6.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 0.0 109.297 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -142.97 117.41 9.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 109.298 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 81.4 m-85 -119.5 -179.75 3.96 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 111.036 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -107.11 -32.97 7.6 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.297 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -119.51 164.98 14.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.511 1.132 . . . . 0.0 109.977 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 3.7 t -77.72 -45.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 0.0 109.314 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.41 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 2.3 p-10 -49.13 -37.63 22.56 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 55.6 mm-40 -64.03 -43.21 96.26 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 0.0 110.304 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.406 ' SG ' HD23 ' A' ' 13' ' ' LEU . 5.7 t -54.01 -57.41 11.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 108.29 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.926 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -39.47 -57.59 1.41 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 110.995 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -38.61 -57.62 1.15 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.479 1.112 . . . . 0.0 110.318 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -37.71 -34.78 0.18 Allowed Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.466 1.104 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.477 HG21 HG21 ' A' ' 94' ' ' ILE . 73.8 t -80.53 -66.04 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.475 0.75 . . . . 0.0 109.362 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.414 ' SG ' ' CD2' ' A' ' 64' ' ' LEU . 2.6 t -41.62 -47.25 3.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.505 1.128 . . . . 0.0 108.333 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.446 ' O ' ' C ' ' A' ' 42' ' ' MET . 16.7 mmmt -43.9 -52.89 6.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.243 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.628 ' SD ' HG21 ' A' ' 15' ' ' VAL . 32.0 mtm -34.28 -69.67 0.09 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.089 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.803 ' HB2' HD13 ' A' ' 64' ' ' LEU . 17.3 t80 -53.72 -47.46 70.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -49.17 -43.82 42.35 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.134 . . . . 0.0 110.262 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -53.26 -64.8 0.7 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.503 1.127 . . . . 0.0 110.325 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 5.8 t60 -49.83 -22.88 1.61 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.595 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.587 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.2 mp -83.69 -47.5 11.14 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.486 1.116 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.1 OUTLIER -37.59 -64.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.14 . . . . 0.0 109.325 179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.05 -41.46 12.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 110.321 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.457 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -72.67 -32.48 65.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 110.978 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.1 m-80 -132.16 101.07 15.15 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -60.14 0.04 OUTLIER 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.45 1.763 . . . . 0.0 111.001 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 15.7 m-80 -46.94 -31.46 3.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.505 1.128 . . . . 0.0 109.329 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.446 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 24.7 p -41.2 101.59 0.25 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.139 . . . . 0.0 109.986 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 -46.05 0.25 Allowed 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.506 1.793 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.4 t -124.18 -0.89 8.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.984 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.548 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.61 167.81 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.51 1.131 . . . . 0.0 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.548 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -170.42 135.03 1.19 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 110.376 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.587 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 9.0 p90 -172.2 -174.42 1.25 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.47 1.106 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.472 ' HB2' ' CB ' ' A' ' 63' ' ' GLN . 61.8 m-20 -79.8 133.87 36.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.52 1.138 . . . . 0.0 109.29 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.6 OUTLIER -67.46 -23.32 29.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 -179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -84.37 -32.8 24.01 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.981 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.472 ' CB ' ' HB2' ' A' ' 60' ' ' ASP . 14.0 tp60 -73.06 -23.54 60.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 0.0 110.305 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.961 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -79.06 -42.0 27.46 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.514 1.134 . . . . 0.0 109.264 -179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.466 ' CD1' HD12 ' A' ' 68' ' ' ILE . 13.0 m-30 -66.1 -18.66 65.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.456 1.098 . . . . 0.0 110.957 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 20.4 m-20 -58.85 -19.23 39.78 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.298 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.6 -34.29 12.06 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.515 1.134 . . . . 0.0 110.996 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.466 HD12 ' CD1' ' A' ' 65' ' ' PHE . 33.8 mt -52.5 -39.86 30.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -67.43 -42.95 82.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -43.57 -37.09 2.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 96.3 mt -54.83 161.47 1.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.513 1.133 . . . . 0.0 109.321 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.747 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -76.93 -30.6 56.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 109.29 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 165.16 104.26 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.542 1.151 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD1' ' O ' ' A' ' 14' ' ' LEU . 3.7 tp -98.42 142.15 30.4 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.544 1.153 . . . . 0.0 109.279 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.2 m -147.39 178.93 8.03 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.027 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.695 ' O ' HD13 ' A' ' 77' ' ' LEU . 4.7 p -156.13 166.91 32.05 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.532 1.145 . . . . 0.0 108.275 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.695 HD13 ' O ' ' A' ' 76' ' ' CYS . 1.8 mm? -128.16 134.95 49.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.295 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.0 t -113.4 123.89 69.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.519 1.137 . . . . 0.0 109.304 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.597 ' CD2' ' CD2' ' A' ' 10' ' ' HIS . 5.6 t80 -88.94 118.34 28.59 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 111.025 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 84' ' ' GLN . 0.0 OUTLIER -116.92 88.16 2.84 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.547 1.155 . . . . 0.0 110.26 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.512 ' HB2' ' OH ' ' A' ' 79' ' ' TYR . . . -46.09 -27.96 1.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 109.301 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.62 -39.44 58.05 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 59.7 p -124.84 5.73 8.07 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 80' ' ' ARG . 0.3 OUTLIER 40.01 76.19 0.07 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 110.309 -179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 11.4 t -167.43 164.73 15.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.509 1.131 . . . . 0.0 110.369 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.624 ' HD2' HD12 ' A' ' 77' ' ' LEU . 18.0 p90 -109.99 132.77 53.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.475 1.109 . . . . 0.0 110.968 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.594 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.9 mm100 -106.58 112.82 63.53 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.257 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.629 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.2 Cg_endo -75.02 108.12 2.64 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.462 1.769 . . . . 0.0 110.99 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.594 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 79.4 m-85 -107.51 126.1 52.1 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -61.32 176.41 0.46 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.876 ' HA ' HD12 ' A' ' 94' ' ' ILE . 1.0 OUTLIER -67.39 -39.92 85.64 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 0.0 109.318 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.422 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -49.44 -28.01 4.79 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.475 1.11 . . . . 0.0 109.318 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.59 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 60.8 t90 -75.96 -57.24 3.99 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.509 1.13 . . . . 0.0 107.982 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.995 ' O ' HG22 ' A' ' 98' ' ' ILE . 5.4 mt -49.97 -39.89 16.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 109.283 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.457 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.4 mtmt -56.03 -38.59 70.76 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.316 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.418 ' HG3' ' O ' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -74.3 -12.46 60.55 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 110.354 179.935 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.59 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.0 OUTLIER -99.11 -65.3 0.97 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.281 -179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.995 HG22 ' O ' ' A' ' 94' ' ' ILE . 3.6 tt -39.4 -47.4 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.616 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.2 OUTLIER -54.18 -59.43 4.67 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 111.036 179.998 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.616 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 3.3 p -62.38 -34.8 66.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.926 HD22 ' HB3' ' A' ' 36' ' ' MET . 1.0 OUTLIER -51.57 -44.58 62.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.12 . . . . 0.0 109.288 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.995 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -73.76 -41.38 62.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.472 1.108 . . . . 0.0 109.304 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.1 -55.6 32.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.458 1.099 . . . . 0.0 110.309 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.416 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 2.4 ptt180 -65.91 -38.96 90.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.293 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.416 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 0.0 OUTLIER -48.4 -35.99 13.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.543 1.152 . . . . 0.0 110.332 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -77.84 -93.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.452 ' O ' ' N ' ' A' ' 109' ' ' ALA . 0.8 OUTLIER -121.8 -100.42 0.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.549 1.155 . . . . 0.0 110.312 179.963 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 66.07 -71.51 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.125 . . . . 0.0 110.333 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -98.69 -63.79 1.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 119.04 67.06 0.31 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.511 1.132 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 0.753 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 110.959 -0.856 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.0 m -97.82 118.71 34.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 0.81 . . . . 0.0 110.008 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 75.06 -60.46 0.51 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.136 . . . . 0.0 110.32 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.61 -166.36 38.63 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.501 1.125 . . . . 0.0 110.988 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -135.13 118.0 16.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 0.766 . . . . 0.0 109.313 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . 47.62 90.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 0.0 109.283 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 65.9 p -86.8 140.74 29.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 110.421 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.5 mtt -69.25 165.92 19.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 110.963 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.0 t 58.31 167.61 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 109.983 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 10.2 t-160 -169.86 88.83 0.16 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 0.0 109.553 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.428 HG21 ' HB2' ' A' ' 35' ' ' CYS . 7.0 m -90.94 138.79 31.33 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.526 1.141 . . . . 0.0 110.424 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.797 HG22 ' CD1' ' A' ' 14' ' ' LEU . 13.5 mt -108.25 123.18 63.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.103 . . . . 0.0 109.322 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.81 ' C ' HD13 ' A' ' 14' ' ' LEU . 0.8 OUTLIER -119.14 123.23 43.89 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 0.0 109.289 -179.977 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.975 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -124.36 175.64 6.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 0.0 109.28 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.703 HG22 HD11 ' A' ' 74' ' ' LEU . 1.2 t -147.86 128.52 5.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.438 1.086 . . . . 0.0 109.295 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.806 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 35.0 tp60 -127.04 97.67 31.81 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.518 1.136 . . . . 0.0 110.307 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.47 ' HD2' ' NE2' ' A' ' 16' ' ' GLN . 18.2 Cg_endo -74.97 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.492 1.785 . . . . 0.0 111.001 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.418 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 72.3 p -121.44 -141.42 0.33 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 1.147 . . . . 0.0 110.402 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -109.11 -37.71 5.73 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.341 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.1 mmt180 -57.85 149.95 51.25 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.3 Cg_endo -75.02 -13.89 21.24 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.529 1.805 . . . . 0.0 110.969 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.4 ' CG ' ' O ' ' A' ' 22' ' ' GLU . 1.6 pt-20 -72.84 86.84 1.28 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 139.42 -19.31 3.02 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.505 1.128 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.412 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.2 OUTLIER -74.21 125.12 27.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.757 . . . . 0.0 110.323 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 7.4 t -147.9 141.5 25.51 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.477 1.111 . . . . 0.0 110.369 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.975 ' CD2' HD12 ' A' ' 14' ' ' LEU . 7.2 m-85 -108.25 164.27 12.46 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 0.0 111.028 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.437 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -135.81 177.24 7.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.529 1.143 . . . . 0.0 109.324 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.25 137.4 30.66 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 109.285 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . 0.419 ' CD1' ' HB3' ' A' ' 34' ' ' GLU . 99.7 m-85 -146.4 174.55 11.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -114.72 -37.34 4.26 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 110.289 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -100.41 135.04 42.47 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.466 1.104 . . . . 0.0 110.0 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.602 HG12 ' SD ' ' A' ' 36' ' ' MET . 41.3 t -52.4 -40.27 31.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.53 1.144 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.484 ' OD1' ' CD1' ' A' ' 101' ' ' LEU . 0.1 OUTLIER -53.57 -61.09 2.52 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 109.322 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.476 ' N ' ' ND2' ' A' ' 33' ' ' ASN . 66.6 mm-40 -38.37 -46.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.112 . . . . 0.0 110.299 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.428 ' HB2' HG21 ' A' ' 11' ' ' THR . 39.8 t -57.2 -54.86 42.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.466 1.104 . . . . 0.0 108.285 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.859 ' HB3' HD22 ' A' ' 101' ' ' LEU . 0.0 OUTLIER -50.52 -60.56 2.89 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 111.035 179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.44 ' O ' ' C ' ' A' ' 38' ' ' GLY . 0.3 OUTLIER -38.58 -60.8 0.77 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 1.137 . . . . 0.0 110.268 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.41 -43.88 0.39 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.514 1.134 . . . . 0.0 110.949 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.454 HG21 HG21 ' A' ' 94' ' ' ILE . 41.9 t -68.78 -58.4 5.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.496 0.762 . . . . 0.0 109.34 -180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . . . . . . . . . 34.7 t -47.77 -44.96 28.82 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.096 . . . . 0.0 108.33 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.436 ' O ' ' C ' ' A' ' 42' ' ' MET . 0.1 OUTLIER -46.88 -53.53 11.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.099 . . . . 0.0 109.319 179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.656 ' SD ' HG21 ' A' ' 15' ' ' VAL . 17.4 mtm -34.71 -72.67 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.439 1.087 . . . . 0.0 110.97 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.778 ' HB2' HD13 ' A' ' 64' ' ' LEU . 29.9 t80 -50.6 -46.15 57.79 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 110.979 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -53.1 -46.82 68.84 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 0.0 110.314 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -49.76 -65.6 0.54 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.471 1.107 . . . . 0.0 110.318 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 10.2 t60 -49.39 -23.24 1.4 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.488 1.118 . . . . 0.0 109.607 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.695 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 4.4 mp -82.48 -48.38 11.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.432 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -38.33 -61.81 0.65 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.543 1.152 . . . . 0.0 109.286 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.55 -41.76 42.29 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.488 1.118 . . . . 0.0 110.326 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.446 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -69.43 -42.06 75.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.527 1.142 . . . . 0.0 110.997 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 1.8 m-80 -117.02 103.07 52.5 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -56.18 0.07 OUTLIER 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.552 1.817 . . . . 0.0 110.974 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 31.0 m-80 -54.11 -36.31 63.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -39.78 99.67 0.2 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 110.029 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 -41.86 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.554 1.818 . . . . 0.0 111.008 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 40.5 t -123.59 0.47 8.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.971 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.539 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 67.43 167.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.539 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -173.09 130.73 0.48 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.485 1.116 . . . . 0.0 110.453 179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.695 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 20.5 p90 -171.26 177.84 3.47 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.98 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -81.68 129.96 34.89 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 1.009 HD11 HD23 ' A' ' 102' ' ' LEU . 0.2 OUTLIER -61.86 -40.43 87.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.108 . . . . 0.0 109.351 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -54.08 -21.56 8.76 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -88.35 -44.56 10.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.477 1.111 . . . . 0.0 110.323 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.778 HD13 ' HB2' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -49.6 -49.06 48.22 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.098 . . . . 0.0 109.329 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 18.1 m-30 -64.54 -28.0 69.35 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.466 1.104 . . . . 0.0 111.017 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -53.33 -25.11 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.518 1.136 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.448 ' CZ ' HD11 ' A' ' 71' ' ' LEU . 0.0 OUTLIER -90.17 -28.92 18.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 179.964 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.52 ' HA ' HD12 ' A' ' 71' ' ' LEU . 18.2 mt -60.87 -36.26 70.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.149 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 35.5 t0 -69.45 -40.09 77.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -53.11 -39.32 63.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.478 1.111 . . . . 0.0 109.313 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.741 HD13 HD13 ' A' ' 74' ' ' LEU . 31.4 mt -53.29 169.13 0.12 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.485 1.116 . . . . 0.0 109.324 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB3' ' HG3' ' A' ' 16' ' ' GLN . . . -77.06 -39.55 49.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 109.296 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 12.6 t70 173.27 123.09 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.525 1.14 . . . . 0.0 109.318 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.741 HD13 HD13 ' A' ' 71' ' ' LEU . 4.8 tp -104.74 132.18 51.29 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.455 1.097 . . . . 0.0 109.253 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.574 ' O ' HD22 ' A' ' 14' ' ' LEU . 0.1 OUTLIER -142.12 170.73 15.17 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 109.945 -179.956 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.645 ' C ' HD22 ' A' ' 77' ' ' LEU . 7.5 p -158.36 162.88 37.7 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.469 1.106 . . . . 0.0 108.279 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 76' ' ' CYS . 2.5 mm? -130.64 139.01 50.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 21.3 t -117.85 130.9 72.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.306 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -95.84 118.16 31.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.494 1.121 . . . . 0.0 111.021 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.441 ' O ' ' N ' ' A' ' 84' ' ' GLN . 1.4 ptp180 -117.98 116.42 26.87 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 110.265 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -66.65 -11.11 52.45 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -61.59 -48.46 80.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 109.258 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 75.9 p -118.61 -3.67 10.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 0.0 110.413 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.441 ' N ' ' O ' ' A' ' 80' ' ' ARG . 1.9 mm-40 53.75 61.35 3.14 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.529 1.143 . . . . 0.0 110.33 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . . . . . . . . . 1.7 t -153.9 165.32 36.46 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.607 ' HD2' HD12 ' A' ' 77' ' ' LEU . 33.6 p90 -104.57 113.48 27.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 111.048 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.622 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 0.0 OUTLIER -84.58 113.54 49.75 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.453 1.096 . . . . 0.0 110.302 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.623 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -75.03 131.31 14.12 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.51 1.795 . . . . 0.0 110.988 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.622 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 75.2 m-85 -130.08 132.22 46.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.55 1.156 . . . . 0.0 111.01 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -67.69 175.34 2.99 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.495 1.122 . . . . 0.0 109.267 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.607 ' HA ' HD12 ' A' ' 94' ' ' ILE . 0.3 OUTLIER -61.46 -40.81 95.86 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.262 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -49.72 -47.89 50.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.146 . . . . 0.0 109.313 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.609 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 57.9 t90 -51.45 -46.61 63.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 108.043 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.638 ' O ' HG22 ' A' ' 98' ' ' ILE . 4.1 mt -66.94 -53.95 29.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.305 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.418 ' C ' ' O ' ' A' ' 94' ' ' ILE . 26.4 mtmt -39.23 -33.19 0.13 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.146 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.468 ' O ' HG23 ' A' ' 100' ' ' VAL . 5.2 mm-40 -79.87 -55.66 4.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.456 1.098 . . . . 0.0 110.331 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -50.97 -58.97 4.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.282 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.648 ' O ' HD22 ' A' ' 102' ' ' LEU . 19.4 tt -39.17 -58.63 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.309 -179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.529 ' N ' HG23 ' A' ' 98' ' ' ILE . 6.5 t80 -53.32 -51.45 62.33 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.476 1.11 . . . . 0.0 111.018 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.468 HG23 ' O ' ' A' ' 96' ' ' GLU . 67.2 t -61.45 -24.28 33.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.576 1.173 . . . . 0.0 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.859 HD22 ' HB3' ' A' ' 36' ' ' MET . 0.0 OUTLIER -74.34 -31.95 62.62 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 1.009 HD23 HD11 ' A' ' 61' ' ' ILE . 0.1 OUTLIER -78.78 -33.33 46.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 1.137 . . . . 0.0 109.299 -179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 17.1 mmm180 -53.96 -52.82 59.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.135 . . . . 0.0 110.286 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . 0.428 ' CG ' ' N ' ' A' ' 105' ' ' GLN . 11.4 ptm180 -69.61 -48.07 61.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.428 ' N ' ' CG ' ' A' ' 104' ' ' ARG . 2.3 mt-30 -46.56 -40.72 13.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 0.0 110.316 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -49.87 -69.54 0.11 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 109.273 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -142.68 -77.25 0.25 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 110.286 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER 76.38 -67.98 0.2 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 110.289 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -169.38 -58.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 109.267 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . 61.09 54.1 39.46 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.457 1.098 . . . . 0.0 110.985 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.773 . . . . 0.0 109.254 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.7 t 74.93 -59.43 0.55 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 0.775 . . . . 0.0 110.02 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 48.15 74.11 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 110.318 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.82 105.71 0.32 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.989 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -170.64 103.24 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 0.747 . . . . 0.0 109.334 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -139.58 125.89 20.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.522 1.139 . . . . 0.0 109.283 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 61.4 p -80.06 145.04 32.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 0.0 110.378 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -75.96 145.14 40.57 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 111.056 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.567 ' HA ' ' CD2' ' A' ' 79' ' ' TYR . 0.4 OUTLIER 169.06 -178.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 0.0 110.019 179.987 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . . . . . . . . . 68.1 m170 63.12 173.74 0.15 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.465 1.103 . . . . 0.0 109.588 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 88.4 m -91.66 131.17 37.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.522 1.139 . . . . 0.0 110.422 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.835 HG22 ' CD1' ' A' ' 14' ' ' LEU . 26.4 mt -97.9 124.89 51.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.464 1.102 . . . . 0.0 109.265 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.705 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.0 OUTLIER -121.16 124.1 43.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.54 1.15 . . . . 0.0 109.282 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.835 ' CD1' HG22 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -132.06 -173.7 3.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.537 1.148 . . . . 0.0 109.31 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.587 HG21 ' SD ' ' A' ' 42' ' ' MET . 1.7 t -156.3 142.47 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 109.298 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.624 ' HG3' ' HB3' ' A' ' 72' ' ' ALA . 23.6 tp60 -143.94 95.02 5.78 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 0.0 110.291 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.806 ' O ' ' HB2' ' A' ' 72' ' ' ALA . 18.4 Cg_endo -74.94 -49.86 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.533 1.807 . . . . 0.0 111.041 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.47 ' O ' ' CB ' ' A' ' 72' ' ' ALA . 73.2 p -109.71 -142.33 0.38 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 0.0 110.393 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.449 ' HE3' ' HB1' ' A' ' 72' ' ' ALA . 0.1 OUTLIER -131.48 33.49 4.05 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.299 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -111.28 148.43 38.72 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -9.98 21.01 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.535 1.808 . . . . 0.0 110.961 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -86.12 -8.57 57.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -128.13 63.34 0.62 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.473 1.108 . . . . 0.0 111.003 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -166.32 101.62 0.62 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 110.317 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 5.8 t -123.57 148.81 46.0 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.551 1.157 . . . . 0.0 110.381 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.812 ' CD2' HD12 ' A' ' 14' ' ' LEU . 3.8 m-85 -109.84 164.98 12.07 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 111.021 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -147.06 177.29 9.27 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.29 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -141.2 135.49 30.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 109.255 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 56.3 m-85 -125.84 173.47 9.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -82.47 -56.72 3.71 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.126 . . . . 0.0 110.308 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.14 160.81 19.86 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.985 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . . . . . . . . . 2.3 t -59.31 -48.14 88.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.308 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.483 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 36.7 m-20 -48.04 -44.31 31.04 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.323 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -60.47 -42.78 96.94 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.531 1.144 . . . . 0.0 110.287 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 5.9 t -55.88 -35.8 66.9 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.474 1.109 . . . . 0.0 108.305 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.469 ' SD ' HG23 ' A' ' 94' ' ' ILE . 15.9 mmt -67.63 -48.6 66.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.529 1.143 . . . . 0.0 110.977 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' O ' ' N ' ' A' ' 40' ' ' CYS . 1.3 mt-10 -38.2 -69.63 0.12 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.442 ' C ' ' O ' ' A' ' 37' ' ' GLU . . . -34.49 -58.43 0.7 Allowed Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.464 1.103 . . . . 0.0 111.027 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.7 t -45.29 -49.59 3.22 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.498 0.764 . . . . 0.0 109.276 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLU . 44.3 t -61.38 -42.37 98.6 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 108.305 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.427 ' O ' ' C ' ' A' ' 42' ' ' MET . 12.5 mttt -50.42 -51.25 48.21 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.161 . . . . 0.0 109.318 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.587 ' SD ' HG21 ' A' ' 15' ' ' VAL . 22.2 mtm -35.11 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 1.132 . . . . 0.0 110.983 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.648 ' CB ' HD13 ' A' ' 64' ' ' LEU . 41.1 t80 -52.9 -45.0 67.34 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.134 . . . . 0.0 110.974 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -52.21 -44.83 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.322 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -50.58 -64.13 0.91 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.303 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -53.21 -20.44 4.04 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.599 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.651 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 5.0 mp -83.47 -47.48 11.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.494 1.121 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.7 OUTLIER -38.68 -61.01 0.76 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.458 1.098 . . . . 0.0 109.278 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.31 -39.68 32.12 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.507 1.129 . . . . 0.0 110.319 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.471 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.5 OUTLIER -73.34 -41.91 62.92 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.496 1.123 . . . . 0.0 110.971 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -113.69 107.46 52.81 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 109.267 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . 0.418 ' O ' ' C ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -75.01 -77.31 0.01 OUTLIER 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.483 1.78 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.449 ' OD1' ' N ' ' A' ' 53' ' ' ASN . 0.2 OUTLIER -38.65 -37.4 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 53' ' ' ASN . 0.4 OUTLIER -36.62 97.23 0.12 Allowed Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.585 1.178 . . . . 0.0 109.996 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.443 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.3 Cg_endo -75.02 -40.21 0.96 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.477 1.777 . . . . 0.0 110.968 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 65.4 m -124.89 0.26 7.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.471 1.107 . . . . 0.0 109.992 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.551 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 68.11 168.1 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.315 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.551 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.6 OUTLIER -172.34 133.4 0.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 0.0 110.423 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.651 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 11.3 p90 -169.74 -173.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.559 1.162 . . . . 0.0 110.995 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.426 ' HB2' ' CG ' ' A' ' 63' ' ' GLN . 83.0 m-20 -82.5 119.87 24.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.566 1.166 . . . . 0.0 109.291 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.523 HD11 ' HA ' ' A' ' 99' ' ' TYR . 0.0 OUTLIER -45.16 -37.73 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 109.29 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -67.44 -42.28 83.39 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 1.134 . . . . 0.0 110.012 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 60' ' ' ASP . 8.9 mm-40 -57.76 -36.91 72.75 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 0.0 110.253 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.804 ' O ' HD12 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -59.08 -48.94 79.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 0.0 109.294 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.542 ' HA ' HD12 ' A' ' 68' ' ' ILE . 17.9 m-30 -66.64 -20.02 65.9 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.509 1.131 . . . . 0.0 111.01 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . . . . . . . . . 10.0 t0 -53.4 -20.68 4.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.454 ' O ' ' CB ' ' A' ' 70' ' ' ASP . 0.0 OUTLIER -95.49 -37.4 10.91 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.532 1.145 . . . . 0.0 110.967 179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 65' ' ' PHE . 11.7 mt -50.52 -54.57 8.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 109.265 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -48.51 -34.76 11.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 109.323 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.454 ' CB ' ' O ' ' A' ' 67' ' ' PHE . 18.2 t0 -56.47 -42.28 77.95 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 0.0 109.325 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.471 ' HA ' ' HA ' ' A' ' 17' ' ' PRO . 97.5 mt -47.08 161.28 0.07 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.52 1.137 . . . . 0.0 109.31 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.806 ' HB2' ' O ' ' A' ' 17' ' ' PRO . . . -77.52 -35.22 53.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.311 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . . . . . . . . . 1.6 t70 170.04 107.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.317 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.442 HD12 ' H ' ' A' ' 75' ' ' SER . 9.0 tp -97.88 147.92 23.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.131 . . . . 0.0 109.285 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.442 ' H ' HD12 ' A' ' 74' ' ' LEU . 2.6 m -145.76 179.02 7.73 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 109.993 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.596 ' O ' HD13 ' A' ' 77' ' ' LEU . 2.1 p -157.95 158.26 34.64 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 108.29 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.633 HD12 ' HD2' ' A' ' 86' ' ' TYR . 2.6 mm? -125.19 124.33 41.53 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 109.3 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.45 HG21 ' CH2' ' A' ' 93' ' ' TRP . 51.6 t -111.06 132.02 60.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.285 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 9' ' ' SER . 13.5 t80 -95.44 117.08 29.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.124 . . . . 0.0 111.033 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 6.1 ptt180 -108.7 110.93 22.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.416 1.072 . . . . 0.0 110.294 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . . . . . . . . . . . -53.11 -24.93 11.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . . . . . . . . . 47.7 m-20 -43.36 -55.27 4.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.136 . . . . 0.0 109.294 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.464 ' OG1' HG22 ' A' ' 85' ' ' THR . 66.2 p -127.47 16.31 7.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 110.421 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 40.23 65.45 0.75 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.504 1.127 . . . . 0.0 110.315 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.464 HG22 ' OG1' ' A' ' 83' ' ' THR . 3.7 t -143.95 167.55 22.08 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.46 1.1 . . . . 0.0 110.398 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.633 ' HD2' HD12 ' A' ' 77' ' ' LEU . 29.0 p90 -105.24 118.9 37.71 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.469 1.106 . . . . 0.0 110.974 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' HB3' ' CE2' ' A' ' 89' ' ' TYR . 7.4 mm100 -93.03 112.25 55.25 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.333 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.471 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.4 Cg_endo -74.99 111.14 3.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.494 1.786 . . . . 0.0 111.033 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CE2' ' HB3' ' A' ' 87' ' ' GLN . 69.8 m-85 -110.94 133.3 53.49 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.473 1.108 . . . . 0.0 111.012 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -55.56 -168.16 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.533 1.145 . . . . 0.0 109.323 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.758 ' HA ' HD12 ' A' ' 94' ' ' ILE . 6.3 ptmt -88.18 -31.46 19.11 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.147 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.452 ' N ' ' HG2' ' A' ' 91' ' ' LYS . 1.3 t0 -60.78 -26.61 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.532 1.145 . . . . 0.0 109.323 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.606 ' CZ2' ' HE3' ' A' ' 97' ' ' LYS . 82.4 t90 -75.52 -32.84 60.64 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.758 HD12 ' HA ' ' A' ' 91' ' ' LYS . 30.0 mt -72.05 -56.39 10.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.484 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 39.8 mtmt -38.42 -36.08 0.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.612 ' O ' HG12 ' A' ' 100' ' ' VAL . 8.5 mm-40 -66.03 -62.2 1.62 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.606 ' HE3' ' CZ2' ' A' ' 93' ' ' TRP . 0.1 OUTLIER -48.3 -65.96 0.48 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.991 ' O ' HD22 ' A' ' 102' ' ' LEU . 10.6 tt -39.1 -47.56 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.538 1.149 . . . . 0.0 109.28 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.619 ' CD2' ' N ' ' A' ' 100' ' ' VAL . 0.4 OUTLIER -62.87 -67.44 0.42 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.113 . . . . 0.0 110.993 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.619 ' N ' ' CD2' ' A' ' 99' ' ' TYR . 7.6 p -54.54 -19.91 4.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 0.0 109.295 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.575 ' N ' ' O ' ' A' ' 97' ' ' LYS . 0.4 OUTLIER -69.75 -40.24 76.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.444 1.09 . . . . 0.0 109.315 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.991 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -77.14 -30.51 55.13 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.505 1.128 . . . . 0.0 109.282 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.488 ' NE ' ' HA ' ' A' ' 103' ' ' ARG . 0.1 OUTLIER -66.1 -47.46 74.13 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 0.0 110.278 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.82 -35.95 64.91 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 0.0 110.281 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -57.26 -26.67 61.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 110.283 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -71.27 -65.23 0.77 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 109' ' ' ALA . 34.8 mt-30 -151.76 -84.0 0.08 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.301 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.404 ' HG3' ' N ' ' A' ' 109' ' ' ALA . 32.3 tp60 65.66 -66.4 0.15 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 0.0 110.295 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.499 ' N ' ' O ' ' A' ' 107' ' ' GLN . . . -144.32 93.09 2.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.546 1.154 . . . . 0.0 109.285 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . . . . . . . . . . . -100.67 54.46 0.85 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.523 1.14 . . . . 0.0 111.037 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 2.1 ptmm? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.331 179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.006 -0.838 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.0 t -87.57 102.52 14.67 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.436 0.727 . . . . 0.0 110.006 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -166.83 160.57 14.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.31 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 140.02 -78.02 0.3 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.508 1.13 . . . . 0.0 111.014 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ALA . . . . . . . . . . . . . . . -70.88 139.11 50.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.439 0.729 . . . . 0.0 109.268 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.9 172.49 13.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' THR . . . . . . . . . . . . . 2.8 m -84.03 150.67 25.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.543 1.152 . . . . 0.0 110.437 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -105.28 137.91 42.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.457 1.098 . . . . 0.0 111.042 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.5 t -178.6 -47.62 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 0.0 110.001 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' HIS . . . . . 0.409 ' O ' ' CG ' ' A' ' 10' ' ' HIS . 0.6 OUTLIER 62.41 93.55 0.05 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.101 . . . . 0.0 109.604 -179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.569 ' OG1' HG22 ' A' ' 32' ' ' VAL . 1.8 m -110.98 144.11 40.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.123 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.817 HG22 ' CD1' ' A' ' 14' ' ' LEU . 25.9 mt -98.1 122.03 49.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.276 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.848 ' C ' HD13 ' A' ' 14' ' ' LEU . 1.1 tm? -119.69 125.61 49.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.135 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . 0.982 HD12 ' CD2' ' A' ' 26' ' ' TYR . 0.0 OUTLIER -127.17 -169.98 2.13 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.338 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.561 HG23 ' O ' ' A' ' 14' ' ' LEU . 1.7 t -158.47 124.02 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.135 . . . . 0.0 109.323 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.599 ' O ' ' HB3' ' A' ' 72' ' ' ALA . 0.0 OUTLIER -126.8 87.28 56.91 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 0.0 110.317 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.475 ' HB3' HD23 ' A' ' 71' ' ' LEU . 18.4 Cg_endo -74.97 -37.42 2.06 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.494 1.787 . . . . 0.0 111.021 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.458 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 16.2 p -146.6 161.44 40.51 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.45 1.094 . . . . 0.0 110.384 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.7 -31.96 71.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.347 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.41 151.57 68.58 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.404 ' HA ' ' HG2' ' A' ' 24' ' ' ARG . 18.4 Cg_endo -74.93 -8.58 20.27 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.488 1.783 . . . . 0.0 111.025 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -74.94 85.23 2.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.13 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 118.57 39.36 0.72 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.533 1.146 . . . . 0.0 111.015 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HG2' ' HA ' ' A' ' 21' ' ' PRO . 0.0 OUTLIER -122.0 130.94 53.72 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 0.772 . . . . 0.0 110.326 179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t -173.21 153.75 2.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.15 . . . . 0.0 110.389 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.982 ' CD2' HD12 ' A' ' 14' ' ' LEU . 6.0 m-85 -116.13 175.6 5.47 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.436 ' N ' ' O ' ' A' ' 13' ' ' LEU . . . -152.53 171.75 17.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.302 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 22.3 t0 -152.02 133.25 14.42 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 1.11 . . . . 0.0 109.265 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TYR . . . . . . . . . . . . . 47.9 m-85 -125.69 -179.38 4.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 110.985 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -88.6 -20.25 25.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.498 1.124 . . . . 0.0 110.251 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -133.89 -179.85 5.8 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 110.0 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' VAL . . . . . 0.569 HG22 ' OG1' ' A' ' 11' ' ' THR . 2.6 t -91.86 -46.43 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASN . . . . . 0.469 ' HB2' ' CD1' ' A' ' 101' ' ' LEU . 4.6 p-10 -51.68 -35.36 42.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.467 1.104 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -65.4 -37.72 87.82 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.549 1.156 . . . . 0.0 110.258 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 92.0 m -62.27 -45.15 94.58 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.49 1.119 . . . . 0.0 108.295 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' MET . . . . . 0.796 ' SD ' HG23 ' A' ' 94' ' ' ILE . 14.8 mmt -55.35 -53.12 60.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 0.0 111.031 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.408 ' C ' ' O ' ' A' ' 36' ' ' MET . 2.7 tt0 -38.39 -52.48 1.54 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 110.286 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.447 ' HA2' ' CD ' ' A' ' 41' ' ' LYS . . . -50.22 -42.07 40.35 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.491 1.119 . . . . 0.0 111.032 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.541 HG22 HD21 ' A' ' 74' ' ' LEU . 75.5 t -59.45 -27.14 36.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 0.736 . . . . 0.0 109.259 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.406 ' SG ' ' O ' ' A' ' 37' ' ' GLU . 0.5 OUTLIER -90.48 -20.31 22.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 1.117 . . . . 0.0 108.32 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . 0.447 ' CD ' ' HA2' ' A' ' 38' ' ' GLY . 14.4 mttm -64.71 -69.87 0.26 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.433 1.083 . . . . 0.0 109.314 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' MET . . . . . 0.492 ' HE3' ' HA ' ' A' ' 39' ' ' VAL . 5.7 ptp -35.79 -33.66 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 111.009 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.619 ' CG ' HD13 ' A' ' 64' ' ' LEU . 58.4 t80 -77.93 -61.62 1.94 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.48 1.112 . . . . 0.0 111.009 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -38.17 -33.89 0.11 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.554 1.159 . . . . 0.0 110.323 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -53.85 -65.29 0.59 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.324 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -46.5 -25.13 0.62 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.617 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LEU . . . . . 0.554 ' CD2' ' CD2' ' A' ' 59' ' ' TYR . 6.3 mp -84.28 -48.13 10.06 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LYS . . . . . 0.427 ' C ' ' O ' ' A' ' 47' ' ' LEU . 0.2 OUTLIER -37.85 -61.83 0.6 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.553 1.158 . . . . 0.0 109.305 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -42.57 31.92 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.123 . . . . 0.0 110.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' MET . . . . . 0.451 ' N ' ' O ' ' A' ' 47' ' ' LEU . 0.6 OUTLIER -72.28 -31.89 66.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 111.041 179.972 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ASN . . . . . 0.49 ' N ' ' O ' ' A' ' 47' ' ' LEU . 1.9 m-80 -131.53 102.71 15.16 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -61.35 0.04 OUTLIER 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.446 1.761 . . . . 0.0 110.992 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.411 ' O ' ' C ' ' A' ' 54' ' ' SER . 27.9 m-80 -45.82 -34.04 3.5 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.443 ' HB3' ' CB ' ' A' ' 51' ' ' ASN . 25.9 p -38.38 99.13 0.18 Allowed Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.555 1.16 . . . . 0.0 110.0 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.403 ' N ' ' O ' ' A' ' 53' ' ' ASN . 18.4 Cg_endo -74.96 -44.46 0.34 Allowed 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.517 1.799 . . . . 0.0 111.01 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.469 ' CB ' ' HA3' ' A' ' 110' ' ' GLY . 43.3 t -123.97 -1.47 8.32 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.543 HG22 ' N ' ' A' ' 58' ' ' THR . 0.9 OUTLIER 65.38 167.64 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.481 1.113 . . . . 0.0 109.321 -179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' THR . . . . . 0.543 ' N ' HG22 ' A' ' 57' ' ' ILE . 0.7 OUTLIER -171.94 136.01 0.86 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.116 . . . . 0.0 110.367 179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.554 ' CD2' ' CD2' ' A' ' 47' ' ' LEU . 5.3 p90 -167.57 -170.31 1.39 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 111.044 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -90.13 132.11 35.62 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.506 1.129 . . . . 0.0 109.326 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.71 HG21 ' CD2' ' A' ' 99' ' ' TYR . 0.1 OUTLIER -56.47 -34.6 41.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 0.0 109.301 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 15.1 m -68.34 -18.81 64.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.007 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLN . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' ASP . 0.0 OUTLIER -81.63 -58.13 3.15 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.563 1.164 . . . . 0.0 110.237 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.852 HD21 HD11 ' A' ' 98' ' ' ILE . 0.4 OUTLIER -45.56 -47.8 14.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 109.28 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.407 ' CD1' HD12 ' A' ' 68' ' ' ILE . 14.9 m-30 -65.82 -30.62 71.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 63' ' ' GLN . 1.4 t0 -51.86 -23.85 5.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 109.278 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PHE . . . . . 0.443 ' O ' ' N ' ' A' ' 70' ' ' ASP . 0.2 OUTLIER -94.32 -38.89 10.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 111.052 179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ILE . . . . . 0.463 ' CG2' ' HD3' ' A' ' 91' ' ' LYS . 4.5 mt -45.1 -41.96 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -57.69 -41.62 82.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 1.15 . . . . 0.0 109.286 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 67' ' ' PHE . 22.0 t70 -47.38 -45.6 25.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.133 . . . . 0.0 109.307 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.475 HD23 ' HB3' ' A' ' 17' ' ' PRO . 52.6 mt -47.61 171.63 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 109.315 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.599 ' HB3' ' O ' ' A' ' 16' ' ' GLN . . . -84.01 -25.12 30.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASP . . . . . 0.502 ' CB ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER 155.99 119.88 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 -179.962 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.541 HD21 HG22 ' A' ' 39' ' ' VAL . 9.5 tp -97.93 129.93 44.82 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.279 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . 0.477 ' O ' ' CD2' ' A' ' 14' ' ' LEU . 1.6 m -131.02 162.98 28.59 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 110.008 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . 0.512 ' SG ' ' CG2' ' A' ' 11' ' ' THR . 10.5 t -151.87 151.7 31.63 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.12 . . . . 0.0 108.332 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.564 HD13 ' HA ' ' A' ' 88' ' ' PRO . 2.2 mm? -118.27 138.97 52.0 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.54 1.15 . . . . 0.0 109.241 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.47 ' O ' ' NH1' ' A' ' 80' ' ' ARG . 7.2 t -116.34 158.99 16.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.341 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' TYR . . . . . 0.926 ' CZ ' ' HB2' ' A' ' 81' ' ' ALA . 4.3 t80 -78.62 140.05 38.48 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 0.0 110.952 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.728 ' H ' ' NE ' ' A' ' 80' ' ' ARG . 0.0 OUTLIER -146.64 55.67 1.14 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.246 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ALA . . . . . 0.926 ' HB2' ' CZ ' ' A' ' 79' ' ' TYR . . . -38.04 -31.33 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASP . . . . . 0.465 ' N ' ' C ' ' A' ' 80' ' ' ARG . 11.3 m-20 -40.23 -42.76 1.56 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.128 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.803 HG23 HG22 ' A' ' 85' ' ' THR . 0.1 OUTLIER -118.62 -22.17 7.61 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.121 . . . . 0.0 110.414 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 68.27 53.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.439 1.087 . . . . 0.0 110.34 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' THR . . . . . 0.803 HG22 HG23 ' A' ' 83' ' ' THR . 1.7 t -131.06 -119.45 0.22 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.524 1.14 . . . . 0.0 110.425 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' TYR . . . . . 0.576 ' H ' HG23 ' A' ' 85' ' ' THR . 4.2 p90 -161.09 128.16 4.1 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.988 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLN . . . . . 0.573 ' O ' ' CD2' ' A' ' 89' ' ' TYR . 0.1 OUTLIER -104.4 104.46 44.84 Favored Pre-proline 0 C--N 1.326 -0.435 0 O-C-N 124.525 1.141 . . . . 0.0 110.277 179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.564 ' HA ' HD13 ' A' ' 77' ' ' LEU . 18.3 Cg_endo -74.98 148.89 36.0 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.53 1.805 . . . . 0.0 110.994 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' TYR . . . . . 0.573 ' CD2' ' O ' ' A' ' 87' ' ' GLN . 96.5 m-85 -147.36 121.26 9.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.533 1.146 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m-20 -52.25 -177.05 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.539 1.149 . . . . 0.0 109.324 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.91 ' HA ' HD12 ' A' ' 94' ' ' ILE . 3.2 ptpp? -72.02 -37.63 69.74 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.485 1.115 . . . . 0.0 109.309 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . 0.478 ' N ' ' HG3' ' A' ' 91' ' ' LYS . 1.2 m-20 -48.03 -48.6 32.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 97' ' ' LYS . 77.4 t90 -56.76 -42.71 79.85 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 0.0 107.99 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ILE . . . . . 0.965 ' O ' HG22 ' A' ' 98' ' ' ILE . 10.2 mt -65.67 -56.51 14.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LYS . . . . . 0.47 ' HA ' ' CG2' ' A' ' 98' ' ' ILE . 42.1 mtmt -43.14 -39.39 2.81 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLU . . . . . 0.921 ' O ' HG23 ' A' ' 100' ' ' VAL . 19.0 mm-40 -66.84 -46.6 74.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 110.317 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 93' ' ' TRP . 0.2 OUTLIER -64.41 -67.34 0.44 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ILE . . . . . 0.965 HG22 ' O ' ' A' ' 94' ' ' ILE . 2.6 tt -39.51 -44.67 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 0.0 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' TYR . . . . . 0.71 ' CD2' HG21 ' A' ' 61' ' ' ILE . 2.2 t80 -60.75 -47.41 86.44 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.425 1.078 . . . . 0.0 111.016 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' VAL . . . . . 0.921 HG23 ' O ' ' A' ' 96' ' ' GLU . 39.7 t -69.92 -28.02 35.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 33' ' ' ASN . 0.4 OUTLIER -57.64 -34.01 68.88 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 0.0 109.294 -179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.882 HD22 ' O ' ' A' ' 98' ' ' ILE . 0.2 OUTLIER -80.65 -29.29 36.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.495 1.122 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.463 ' CG ' ' HA ' ' A' ' 100' ' ' VAL . 22.2 mmm180 -60.3 -50.83 72.07 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.509 1.131 . . . . 0.0 110.313 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ARG . . . . . . . . . . . . . 3.6 ptm180 -70.05 -44.13 69.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.354 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLN . . . . . 0.756 ' OE1' ' HB2' ' A' ' 109' ' ' ALA . 15.6 mt-30 -46.2 -89.67 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 0.0 110.297 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.694 ' HB3' ' O ' ' A' ' 105' ' ' GLN . . . 84.44 -48.17 0.1 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.133 . . . . 0.0 109.329 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLN . . . . . 0.408 ' O ' ' C ' ' A' ' 108' ' ' GLN . 34.5 mt-30 -124.12 -41.41 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.509 1.13 . . . . 0.0 110.256 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 107' ' ' GLN . 1.0 OUTLIER -37.49 -50.0 1.08 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.504 1.127 . . . . 0.0 110.318 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.756 ' HB2' ' OE1' ' A' ' 105' ' ' GLN . . . -41.0 -55.59 2.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 0.0 109.321 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLY . . . . . 0.469 ' HA3' ' CB ' ' A' ' 56' ' ' SER . . . 175.84 -77.67 0.07 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.498 1.123 . . . . 0.0 111.029 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.498 0.764 . . . . 0.0 109.294 179.986 . . . . . . . . 1 1 . 1 stop_ save_